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ajugamarin A2 chlorohydrin

PropertiesImageOccurences in reactions
MNX_IDMNXM102433Image of MNXM102433
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC31H43ClO11
charge0
mass626.24939
referencechebi:69865
InChIKeyMQMQEPSKXRDQHX-BEEMTZEWSA-N
InChIInChI=1S/C31H43ClO11/c1-8-17(2)28(37)43-23-9-10-30(38,15-32)31(16-40-19(4)33)25(42-21(6)35)11-18(3)29(7,27(23)31)13-24(41-20(5)34)22-12-26(36)39-14-22/h8,12,18,23-25,27,38H,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@](O)(CCl)[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:69865
chebi:69865
ajugamarin A2 chlorohydrin
(1R,4R,4aR,5S,7R,8S,8aR)-5-(acetyloxy)-4a-[(acetyloxy)methyl]-8-[(2S)-2-(acetyloxy)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-4-(chloromethyl)-4-hydroxy-7,8-dimethyldecahydronaphthalen-1-yl (2E)-2-methylbut-2-enoate