GYMNEMIC ACID XII

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H76O19
Molecular Weight	969.1163
Optical Activity	UNSPECIFIED
Defined Stereocenters	22 / 22
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(COC(C)=O)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(O)=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C

InChI

InChIKey=XHFAFTWZPMKJCK-MTYXAMRGSA-N

InChI=1S/C49H76O19/c1-10-22(2)41(62)68-39-38(59)49(21-63-23(3)52)25(17-44(39,4)5)24-11-12-28-45(6)15-14-30(46(7,20-51)27(45)13-16-47(28,8)48(24,9)18-29(49)53)65-43-35(58)36(34(57)37(67-43)40(60)61)66-42-33(56)32(55)31(54)26(19-50)64-42/h10-11,25-39,42-43,50-51,53-59H,12-21H2,1-9H3,(H,60,61)/b22-10+/t25-,26+,27+,28+,29-,30-,31+,32-,33+,34-,35+,36-,37-,38-,39-,42-,43+,45-,46-,47+,48+,49-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C49H76O19
Molecular Weight	969.1163
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	22 / 22
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:10:15 GMT 2025` Edited by `admin` on `Mon Mar 31 23:10:15 GMT 2025`
Record UNII	81E1A0G19O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GYMNEMIC ACID XII (CONSTITUENT OF GYMNEMA) [DSC]

Preferred Name

English

GYMNEMIC ACID XII

Common Name

English

GYMNEMIC ACID XII, (+)-

Common Name

English

Code System Code Type Description

CAS

147899-36-3

Created by admin on Mon Mar 31 23:10:15 GMT 2025 , Edited by admin on Mon Mar 31 23:10:15 GMT 2025

PRIMARY

PUBCHEM

91826975

Created by admin on Mon Mar 31 23:10:15 GMT 2025 , Edited by admin on Mon Mar 31 23:10:15 GMT 2025

PRIMARY

FDA UNII

81E1A0G19O

Created by admin on Mon Mar 31 23:10:15 GMT 2025 , Edited by admin on Mon Mar 31 23:10:15 GMT 2025

PRIMARY

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