Marvin 09101210592D 33 37 0 0 0 0 999 V2000 18.4650 -9.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4650 -9.8340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1777 -10.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1777 -8.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8904 -9.0091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8868 -9.8340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5960 -10.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3137 -9.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6033 -8.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3133 -9.0180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3307 -7.3678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6088 -7.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0407 -7.7883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0315 -8.6139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8085 -8.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3010 -8.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8234 -7.5439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8171 -6.7149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5291 -6.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2474 -6.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9595 -6.2861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.6777 -6.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9532 -5.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6840 -7.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3898 -6.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7504 -10.2474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8827 -8.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0351 -6.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0987 -6.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0266 -9.4215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6420 -7.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3038 -9.0908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7034 -9.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 13 1 0 0 0 0 7 8 2 0 0 0 0 17 18 1 0 0 0 0 8 10 1 0 0 0 0 18 19 1 0 0 0 0 9 10 1 0 0 0 0 19 20 2 0 0 0 0 3 6 1 0 0 0 0 20 21 1 0 0 0 0 5 4 1 0 0 0 0 21 22 1 0 0 0 0 5 6 1 0 0 0 0 21 23 1 6 0 0 0 22 24 1 0 0 0 0 9 12 2 0 0 0 0 22 25 2 0 0 0 0 10 14 1 0 0 0 0 2 26 1 1 0 0 0 13 11 1 0 0 0 0 5 27 1 1 0 0 0 11 12 1 0 0 0 0 13 28 1 1 0 0 0 13 14 1 0 0 0 0 18 29 1 6 0 0 0 1 2 1 0 0 0 0 14 30 1 6 0 0 0 1 4 1 0 0 0 0 17 31 1 6 0 0 0 2 3 1 0 0 0 0 6 32 1 6 0 0 0 5 9 1 0 0 0 0 10 33 1 6 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:65733 > 9(11)-dehydroaxinysterol > A 3β-sterol having a 5α-ergostane skeleton with double bonds at C-6, C-9(11), C-22 and C-25 and a peroxy group between positions 5 and 8. An antineoplastic agent isolated from Okinawan sponge of the genus Axinyssa. > 3 > (3S,5S,8S,10R,13R,14R,17R)-17-[(2R,3E,5S)-5,6-dimethylhepta-3,6-dien-2-yl]-10,13-dimethyl-1,3,4,10,12,13,14,15,16,17-decahydro-2H-5,8-epidioxycyclopenta[a]phenanthren-3-ol > C28H40O3 > 424.61540 > 424.29775 > 0 > [H][C@@]1(CC[C@]2([H])[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)[C@H](C)\C=C\[C@H](C)C(C)=C > InChI=1S/C28H40O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,19-23,29H,1,9-11,13-14,17H2,2-6H3/b8-7+/t19-,20+,21-,22+,23+,25+,26+,27+,28-/m0/s1 > UUHVMJGTJKDDFG-LEOBWYFPSA-N > 9302774 > 12237556 $$$$