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1beta,2alpha,3beta,19alpha-Tetrahydroxy-12-ursen-28-oic acid 28-O-[b-D-Glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester

Properties

Image

Occurences in reactions

MNX_ID

MNXM116218

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

formula

C₄₂H₆₈O₁₆

charge

mass

828.45074

reference

chebi:173310

InChIKey

CYBPVTXJHMEVKW-UHFFFAOYSA-N

InChI

InChI=1S/C42H68O16/c1-18-10-13-42(36(53)58-35-30(27(48)25(46)21(17-44)56-35)57-34-28(49)26(47)24(45)20(16-43)55-34)15-14-38(4)19(31(42)41(18,7)54)8-9-23-39(38,5)12-11-22-37(2,3)32(51)29(50)33(52)40(22,23)6/h8,18,20-35,43-52,54H,9-17H2,1-7H3

SMILES

CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)C(O)C(O)C(O)C(C)(C)C5CCC43C)C2C1(C)O

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:173310 chebi:173310	1beta,2alpha,3beta,19alpha-Tetrahydroxy-12-ursen-28-oic acid 28-O-[b-D-Glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester [4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] 1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
hmdb:HMDB0035449	1beta,2alpha,3beta,19alpha-Tetrahydroxy-12-ursen-28-oic acid 28-O-[b-D-Glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester 1b,2a,3b,19a-Tetrahydroxy-12-ursen-28-Oate 28-O-[b-D-glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester 1b,2a,3b,19a-Tetrahydroxy-12-ursen-28-Oic acid 28-O-[b-D-glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester 1beta,2alpha,3beta,19alpha-Tetrahydroxy-12-ursen-28-Oate 28-O-[b-D-glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester 1beta,2alpha,3beta,19alpha-tetrahydroxy-12-ursen-28-Oate 28-O-[b-D-glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester 1beta,2alpha,3beta,19alpha-tetrahydroxy-12-ursen-28-Oic acid 28-O-[b-D-glucopyranosyl-(1->2)-b-D-glucopyranosyl] ester 4,5-Dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid 4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate 4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl 1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate
hmdb:HMDB35449	secondary/obsolete/fantasy identifier