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15-acetyltrichagmalin C

PropertiesImageOccurences in reactions
MNX_IDMNXM101444Image of MNXM101444
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC38H48O13
charge0
mass712.30949
referencechebi:68362
InChIKeyMQEIFZMRSSTDSK-IPBKTXPRSA-N
InChIInChI=1S/C38H48O13/c1-10-19(4)31(42)51-33-35(7)17-37(44)36(8,23(35)15-24(40)46-9)22-11-13-34(6)26(25(22)29(38(33,37)45)50-30(41)18(2)3)27(48-20(5)39)32(43)49-28(34)21-12-14-47-16-21/h10,12,14,16,18,22-23,27-29,33,44-45H,11,13,15,17H2,1-9H3/b19-10+/t22-,23-,27+,28-,29-,33-,34+,35-,36+,37+,38+/m0/s1
SMILESC/C=C(\C)C(=O)O[C@H]1[C@@]2(C)C[C@@]3(O)[C@](C)([C@H]4CC[C@]5(C)C(=C4[C@H](OC(=O)C(C)C)[C@@]13O)[C@@H](OC(C)=O)C(=O)O[C@H]5c1ccoc1)[C@H]2CC(=O)OC
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:68362
chebi:68362 		15-acetyltrichagmalin C
(1R,4R,5S,6S,6aR,8S,9S,9aS,9bS,11aR,12S)-4-(acetyloxy)-1-(furan-3-yl)-6,6a-dihydroxy-9-(2-methoxy-2-oxoethyl)-8,9a,11a-trimethyl-5-[(2-methylpropanoyl)oxy]-3-oxo-1,3,4,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-6,8-methanoindeno[5,4-f]isochromen-12-yl (2E)-2-methylbut-2-enoate