GAMBOGIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H44O8
Molecular Weight	628.7512
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC[C@@]1(C)OC2=C(C=C1)C(O)=C3C(=O)C4=C[C@@H]5C[C@H]6C(C)(C)O[C@@](C\C=C(\C)C(O)=O)(C5=O)[C@@]46OC3=C2CC=C(C)C

InChI

InChIKey=GEZHEQNLKAOMCA-RRZNCOCZSA-N

InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C38H44O8
Molecular Weight	628.7512
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:12:25 UTC 2023` Edited by `admin` on `Sat Dec 16 08:12:25 UTC 2023`
Record UNII	8N585K83U2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GAMBOGIC ACID

Common Name

English

.BETA.-GUTTIFERIN

Common Name

English

GAMBOGIC ACID [MI]

Common Name

English

(2Z)-2-METHYL-4-((1R,3AS,5S,11R,14AS)-3A,4,5,7-TETRAHYDRO-8-HYDROXY-3,3,11-TRIMETHYL-13-(3-METHYL-2-BUTEN-1-YL)-11-(4-METHYL-3-PENTEN-1-YL)-7,15-DIOXO-1,5-METHANO-1H,3H,11H-FURO(3,4-G)PYRANO(3,2-B)XANTHEN-1-YL)-2-BUTENOIC ACID

Systematic Name

English

2-BUTENOIC ACID, 2-METHYL-4-((1R,3AS,5S,11R,14AS)-3A,4,5,7-TETRAHYDRO-8-HYDROXY-3,3,11-TRIMETHYL-13-(3-METHYL-2-BUTEN-1-YL)-11-(4-METHYL-3-PENTEN-1-YL)-7,15-DIOXO-1,5-METHANO-1H,3H,11H-FURO(3,4-G)PYRANO(3,2-B)XANTHEN-1-YL)-, (2Z)-

Systematic Name

English

R-GAMBOGIC ACID

Common Name

English

(-)-GAMBOGIC ACID

Common Name

English

Code System Code Type Description

CAS

2752-65-0