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ajugapitin

PropertiesImageOccurences in reactions
MNX_IDMNXM102440Image of MNXM102440
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC29H42O10
charge0
mass550.2778
referencechebi:67463
InChIKeyLHFSTOLZQVESJD-DBNYLVSFSA-N
InChIInChI=1S/C29H42O10/c1-7-15(2)25(33)39-24-20(32)12-21-27(6,22-11-19-8-9-34-26(19)38-22)16(3)10-23(37-18(5)31)28(21,13-35-17(4)30)29(24)14-36-29/h8-9,15-16,19-24,26,32H,7,10-14H2,1-6H3/t15?,16-,19-,20-,21-,22+,23+,24+,26+,27+,28+,29-/m1/s1
SMILESCCC(C)C(=O)O[C@H]1[C@H](O)C[C@@H]2[C@@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H](C)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@]12CO2
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:67463
chebi:67463 		ajugapitin
(1R,2S,3R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-3-hydroxy-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylbutanoate