Feedback

16,23,29-trihydroxy-3-oxo-olean-12-en-28-oic acid

PropertiesImageOccurences in reactions
MNX_IDMNXM101463Image of MNXM101463
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC30H46O6
charge0
mass502.32944
referencechebi:69363
InChIKeyXRUBFYYNZLBFBN-JYGFFPNFSA-N
InChIInChI=1S/C30H46O6/c1-25(16-31)12-13-30(24(35)36)19(14-25)18-6-7-21-26(2)10-9-22(33)27(3,17-32)20(26)8-11-28(21,4)29(18,5)15-23(30)34/h6,19-21,23,31-32,34H,7-17H2,1-5H3,(H,35,36)/t19-,20+,21+,23+,25+,26-,27-,28+,29+,30+/m0/s1
SMILESC[C@@]12C[C@@H](O)[C@@]3(C(=O)O)CC[C@@](C)(CO)C[C@H]3C1=CC[C@@H]1[C@@]3(C)CCC(=O)[C@@](C)(CO)[C@@H]3CC[C@]12C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:69363
chebi:69363
16,23,29-trihydroxy-3-oxo-olean-12-en-28-oic acid
(16alpha)-16,23,29-trihydroxy-3-oxoolean-12-en-28-oic acid