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ajuganipponin A

PropertiesImageOccurences in reactions
MNX_IDMNXM102437Image of MNXM102437
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC31H42O11
charge0
mass590.27271
referencechebi:69879
InChIKeySJNMHXILDVKBPL-BEEMTZEWSA-N
InChIInChI=1S/C31H42O11/c1-8-17(2)28(36)42-24(22-12-26(35)37-14-22)13-29(7)18(3)11-25(41-21(6)34)31(16-38-19(4)32)27(29)23(40-20(5)33)9-10-30(31)15-39-30/h8,12,18,23-25,27H,9-11,13-16H2,1-7H3/b17-8+/t18-,23-,24+,25+,27-,29+,30+,31-/m1/s1
SMILESC/C=C(\C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@H](OC(C)=O)CC[C@]21CO1)C1=CC(=O)OC1
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IdentifierDescription
CHEBI:69879
chebi:69879
ajuganipponin A
(1S)-2-{(1R,4R,4aR,5S,6R,8S,8aR)-4,8-bis(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl}-1-(5-oxo-2,5-dihydrofuran-3-yl)ethyl (2E)-2-methylbut-2-enoate