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ajugamarin A2

PropertiesImageOccurences in reactions
MNX_IDMNXM102432Image of MNXM102432
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC31H42O11
charge0
mass590.27271
referencechebi:69884
InChIKeyIAAHUGSOWYSQSN-BEEMTZEWSA-N
InChIInChI=1S/C31H42O11/c1-8-17(2)28(36)42-23-9-10-30(15-39-30)31(16-38-19(4)32)25(41-21(6)34)11-18(3)29(7,27(23)31)13-24(40-20(5)33)22-12-26(35)37-14-22/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]1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(C)=O)C3=CC(=O)OC3)[C@@H]12
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IdentifierDescription
CHEBI:69884
chebi:69884
ajugamarin A2
(1R,4R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S)-2-(acetyloxy)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-4-yl (2E)-2-methylbut-2-enoate