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ajugamarin A1 chlorohydrin

PropertiesImageOccurences in reactions
MNX_IDMNXM102431Image of MNXM102431
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC29H41ClO10
charge0
mass584.23883
referencechebi:69866
InChIKeyCWWDVANTGWQWKM-CJARLIFWSA-N
InChIInChI=1S/C29H41ClO10/c1-7-16(2)26(35)40-22-8-9-28(36,14-30)29(15-38-18(4)31)23(39-19(5)32)10-17(3)27(6,25(22)29)12-21(33)20-11-24(34)37-13-20/h7,11,17,21-23,25,33,36H,8-10,12-15H2,1-6H3/b16-7+/t17-,21+,22-,23+,25-,27+,28+,29-/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](O)C3=CC(=O)OC3)[C@@H]12
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IdentifierDescription
CHEBI:69866
chebi:69866
ajugamarin A1 chlorohydrin
(1R,4R,4aR,5S,7R,8S,8aR)-5-(acetyloxy)-4a-[(acetyloxy)methyl]-4-(chloromethyl)-4-hydroxy-8-[(2S)-2-hydroxy-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-7,8-dimethyldecahydronaphthalen-1-yl (2E)-2-methylbut-2-enoate