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tolypodiol

Properties

Image

Occurences in reactions

MNX_ID

MNXM113611

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

formula

C₂₈H₄₀O₅

charge

mass

456.28757

reference

chebi:66251

InChIKey

NQNQLGPYASRQND-KNFPFGBTSA-N

InChI

InChI=1S/C28H40O5/c1-25(2)11-10-22(30)28(5)20-9-12-27(4)21(26(20,3)15-18(29)23(25)28)14-17-13-16(24(31)32-6)7-8-19(17)33-27/h7-8,13,18,20-23,29-30H,9-12,14-15H2,1-6H3/t18-,20+,21+,22-,23+,26-,27+,28+/m1/s1

SMILES

COC(=O)c1ccc2c(c1)C[C@@H]1[C@](C)(CC[C@H]3[C@@]1(C)C[C@@H](O)[C@H]1C(C)(C)CC[C@@H](O)[C@@]13C)O2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:66251 chebi:66251	tolypodiol 16,24-Cyclo-D(17a)-homo-21-nor-17a-oxachola-16,20(22),23-triene-23-carboxylic acid, 1,6-dihydroxy-4,4,8-trimethyl-,methyl ester, (1beta,5alpha,6beta)- 1H-Naphtho(2,1-a)xanthene-10-carboxylic acid,2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-4,14-dihydroxy-1,1,4a,6a,12b-pentamethyl-, methyl ester,(4R,4aR,4bS,6aS,12aS,12bR,14R,14aS)- methyl (4R,4aR,4bS,6aS,12aS,12bR,14R,14aS)-4,14-dihydroxy-1,1,4a,6a,12b-pentamethyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1H-naphtho[2,1-a]xanthene-10-carboxylate