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methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM106605

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₁H₅₀O₇

charge

mass

534.35565

reference

chebi:69364

InChIKey

SUUYXWGSSHWCRR-RIFYGRPCSA-N

InChI

InChI=1S/C31H50O7/c1-26(18-32)13-15-31(25(35)36)16-14-28(3)20(21(31)17-26)7-8-22-27(2,11-10-24(34)38-6)23(30(5,37)19-33)9-12-29(22,28)4/h7,21-23,32-33,37H,8-19H2,1-6H3,(H,35,36)/t21-,22+,23+,26+,27+,28+,29+,30?,31-/m0/s1

SMILES

COC(=O)CC[C@@]1(C)[C@H](C(C)(O)CO)CC[C@]2(C)[C@@H]1CC=C1[C@@H]3C[C@](C)(CO)CC[C@]3(C(=O)O)CC[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:69364 chebi:69364	methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid (1R,2R,4aR,4bS,6aR,9R,10aS,12aR)-2-(1,2-dihydroxypropan-2-yl)-9-(hydroxymethyl)-1-(3-methoxy-3-oxopropyl)-1,4a,4b,9-tetramethyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,12,12a-tetradecahydrochrysene-6a(2H)-carboxylic acid