Ketcher 10231514522D 1 1.00000 0.00000 0 65 68 0 1 0 999 V2000 8.9708 -3.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9708 -4.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8421 -4.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7136 -4.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7136 -3.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8421 -2.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8421 -5.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7136 -6.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7136 -7.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5849 -7.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4563 -7.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5849 -8.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4563 -9.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3277 -8.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3277 -7.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5849 -6.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7150 -9.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7150 -10.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8558 -10.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 -10.8334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0033 -10.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1466 -10.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 -10.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4365 -10.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5813 -10.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7262 -10.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9417 -9.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0704 -8.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0704 -7.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1990 -7.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2083 -9.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9418 -7.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9418 -6.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0704 -5.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1990 -6.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3306 -5.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3306 -4.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2154 -4.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2152 -3.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3439 -2.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4591 -3.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4591 -4.2884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5983 -2.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4591 -2.4773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0994 -2.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2403 -3.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3870 -2.7810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2402 -4.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5309 -3.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0745 -2.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9333 -3.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7868 -2.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9335 -4.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8293 -5.7863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0547 -6.8161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4563 -10.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3219 -10.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1703 -10.3271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0235 -10.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3221 -11.8260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8407 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8469 -1.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2105 -8.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7074 -7.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3225 -6.8007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 3 7 1 1 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 10 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 11 15 1 0 0 0 10 16 1 1 0 0 12 17 1 6 0 0 17 18 1 0 0 0 18 19 1 0 0 0 18 20 2 0 0 0 19 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 15 30 1 0 0 0 28 31 1 1 0 0 29 32 1 1 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 37 36 1 1 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 37 42 1 0 0 0 5 43 1 1 0 0 41 43 1 1 0 0 41 44 1 0 0 0 1 45 2 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 46 48 2 0 0 0 47 49 1 0 0 0 39 50 1 1 0 0 50 51 1 0 0 0 51 52 1 0 0 0 51 53 2 0 0 0 33 54 2 0 0 0 35 55 1 6 0 0 13 56 2 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 57 60 2 0 0 0 61 40 1 0 0 0 62 40 1 0 0 0 63 9 1 0 0 0 64 9 1 0 0 0 15 65 1 1 0 0 M END > CHEBI:88353 > bryostatin 1 > A member of the class of bryostatins that is (17E)-2-oxooxacyclohexacos-17-ene which is substituted by hydroxy groups at positions 4, 10, and 20; an acetoxy group at position 8; methyl groups at positions 9, 9, 18, and 19; 2-methoxy-2-oxoethylidene groups at positions 14 and 24; an (E,E)-octa-2,4-dienoyloxy group at position 21; and with oxygen bridges linking positions 6 to 10, 12 to 16, and 20 to 24. It is one of the most abundant member of the class of bryostatins. > 3 > bryostatin-1 > (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.1(3,7).1(11,15)]nonacos-8-en-12-yl (2E,4E)-octa-2,4-dienoate > C47H68O17 > 905.034 > 904.44565 > 0 > C/1(\C[C@H]2O[C@@H](C1)C[C@]3(C([C@H](C[C@@H](C[C@H](CC(O[C@@H]([C@@H](C)O)C[C@@]4(C\C(\[C@@H]([C@](C(C=C2)(C)C)(O4)O)OC(/C=C/C=C/CCC)=O)=C/C(OC)=O)[H])=O)O)O3)OC(C)=O)(C)C)O)=C\C(OC)=O > InChI=1S/C47H68O17/c1-10-11-12-13-14-15-39(51)62-43-31(22-41(53)58-9)21-34-25-37(28(2)48)61-42(54)24-32(50)23-35-26-38(59-29(3)49)45(6,7)46(55,63-35)27-36-19-30(20-40(52)57-8)18-33(60-36)16-17-44(4,5)47(43,56)64-34/h12-17,20,22,28,32-38,43,48,50,55-56H,10-11,18-19,21,23-27H2,1-9H3/b13-12+,15-14+,17-16+,30-20+,31-22+/t28-,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1 > MJQUEDHRCUIRLF-TVIXENOKSA-N > 83314-01-6 > 4349157 > 83314-01-6 > DB11752 > C05149 > C00038654 > Bryostatin > 10502742; 14735696; 16834754; 20354984; 21175177; 22539107; 22579485; 22986161; 23146662; 23369356; 24291721; 24659806; 24674872; 24677503; 25299527; 25301233; 25472878; 25523423; 25808573; 26225566; 26563568; 26891037; 27068183; 27128726; 27472877; 27941949; 27994072; 28467486; 28472666; 28482641; 28539614; 28590053; 28934369; 29026042; 29066536; 29115558; 8477194; 9195893; 9225066 $$$$