CARBOXYATRACTYLOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H46O18S2
Molecular Weight	770.816
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CC(=O)O[C@H]1[C@H](O[C@H]2C[C@@]3(C)[C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(O)=O)C(O)=O)[C@@H](O)C5=C)O[C@H](CO)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O

InChI

InChIKey=AQFATIOBERWBDY-LNQSNDDKSA-N

InChI=1S/C31H46O18S2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44)/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26-,29+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H46O18S2
Molecular Weight	770.816
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:16:08 GMT 2025` Edited by `admin` on `Mon Mar 31 23:16:08 GMT 2025`
Record UNII	SNP1XL23E6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CARBOXYATRACTYLOSIDE

Common Name

English

GUMMIFERIN

Preferred Name

English

Kaur-16-ene-18,19-dioic acid, 15-hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-?-D-glucopyranosyl]oxy]-, (2?,15?)-

Common Name

English

C-4992

Code

English

Code System Code Type Description

DRUG BANK

DB02426