Mrv0541 03131511402D 43 47 0 0 0 0 999 V2000 7.4366 -8.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4407 -7.9014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7236 -8.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7318 -6.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7318 -7.4909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4444 -6.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1571 -6.6658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1581 -7.4909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8697 -7.9023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5808 -7.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5797 -6.6640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8676 -6.2480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8688 -5.4249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5316 -4.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1994 -4.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4508 -4.1586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2776 -4.1576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5309 -3.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8648 -2.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 -3.3723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0168 -7.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3016 -7.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5867 -7.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3014 -6.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8756 -7.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1607 -7.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5870 -8.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1539 -8.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5876 -8.9148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8251 -9.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2633 -10.3033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8696 -8.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5806 -9.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5805 -9.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2957 -8.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6285 -9.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2947 -6.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5759 -5.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6231 -4.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1025 -4.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8650 -2.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -5.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -7.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 16 1 0 0 0 0 2 1 1 0 0 0 0 5 21 1 1 0 0 0 4 6 1 0 0 0 0 21 22 1 0 0 0 0 7 12 1 0 0 0 0 22 23 1 0 0 0 0 8 9 1 0 0 0 0 22 24 2 0 0 0 0 9 10 1 0 0 0 0 23 25 1 0 0 0 0 10 11 1 0 0 0 0 25 26 1 0 0 0 0 11 12 1 0 0 0 0 23 27 1 0 0 0 0 13 14 1 0 0 0 0 5 2 1 0 0 0 0 8 28 1 6 0 0 0 2 8 1 0 0 0 0 28 29 1 0 0 0 0 7 6 1 0 0 0 0 29 30 1 0 0 0 0 14 17 1 0 0 0 0 30 31 2 0 0 0 0 16 15 1 0 0 0 0 9 32 1 6 0 0 0 15 13 1 0 0 0 0 32 33 1 0 0 0 0 12 13 1 0 0 0 0 33 34 2 0 0 0 0 16 17 1 0 0 0 0 33 35 1 0 0 0 0 7 8 1 0 0 0 0 30 36 1 0 0 0 0 2 3 1 6 0 0 0 11 37 1 6 0 0 0 4 5 1 0 0 0 0 12 38 1 6 0 0 0 1 3 1 0 0 0 0 16 39 1 1 0 0 0 17 18 1 0 0 0 0 17 40 1 1 0 0 0 18 19 1 0 0 0 0 19 41 1 0 0 0 0 13 42 1 6 0 0 0 19 20 1 0 0 0 0 7 43 1 1 0 0 0 M END > CHEBI:67469 > 15-hydroxyajubractin C > A diterpenoid isolated from the aerial parts of Ajuga bracteosa. > 3 > (1R,2S,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S,3aS,6aR)-5-hydroxyhexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylbutanoate > C29H44O10 > 552.65370 > 552.29345 > 0 > CCC(C)C(=O)O[C@H]1CC[C@@H]2[C@@](C)([C@@H]3C[C@H]4CC(O)O[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]11CO1 > InChI=1S/C29H44O10/c1-7-15(2)25(33)37-21-9-8-20-27(6,22-11-19-12-24(32)39-26(19)38-22)16(3)10-23(36-18(5)31)28(20,13-34-17(4)30)29(21)14-35-29/h15-16,19-24,26,32H,7-14H2,1-6H3/t15?,16-,19+,20-,21+,22+,23+,24?,26-,27+,28+,29-/m1/s1 > RZHRFYOKQJTDFE-RAHYLWCHSA-N > 21539300 $$$$