GYMNEMIC ACID XI

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C46H70O14
Molecular Weight	847.0396
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]6(O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C4[C@]5([H])CC(C)(C)[C@@H](OC(=O)C(\C)=C\C)[C@H](O)[C@]5(COC(=O)C(\C)=C\C)[C@@H](O)C[C@@]34C)[C@]1(C)CO)O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O

InChI

InChIKey=HXMHDLGRRVPZTP-ZIDNNZLZSA-N

InChI=1S/C46H70O14/c1-11-23(3)38(55)57-22-46-26(19-41(5,6)36(35(46)52)60-39(56)24(4)12-2)25-13-14-28-42(7)17-16-30(58-40-33(51)31(49)32(50)34(59-40)37(53)54)43(8,21-47)27(42)15-18-44(28,9)45(25,10)20-29(46)48/h11-13,26-36,40,47-52H,14-22H2,1-10H3,(H,53,54)/b23-11+,24-12+/t26-,27+,28+,29-,30-,31-,32-,33+,34-,35-,36-,40+,42-,43-,44+,45+,46-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C46H70O14
Molecular Weight	847.0396
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	17 / 17
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:25:00 UTC 2023` Edited by `admin` on `Sat Dec 16 10:25:00 UTC 2023`
Record UNII	U06F13N5GR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GYMNEMIC ACID XI

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.,22.ALPHA.)-16,22,23-TRIHYDROXY-21,28-BIS(((2E)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)OLEAN-12-EN-3-YL

Systematic Name

English

GYMNEMIC ACID XI, (+)-

Common Name

English

GYMNEMIC ACID XI (CONSTITUENT OF GYMNEMA) [DSC]

Common Name

English

Code System Code Type Description

CAS

147899-35-2

Created by admin on Sat Dec 16 10:25:00 UTC 2023 , Edited by admin on Sat Dec 16 10:25:00 UTC 2023

PRIMARY

FDA UNII

U06F13N5GR

Created by admin on Sat Dec 16 10:25:00 UTC 2023 , Edited by admin on Sat Dec 16 10:25:00 UTC 2023

PRIMARY

PUBCHEM

15674687

Created by admin on Sat Dec 16 10:25:00 UTC 2023 , Edited by admin on Sat Dec 16 10:25:00 UTC 2023

PRIMARY

Related Record Type Details


					2ZK6ZS8392

GYMNEMA SYLVESTRE LEAF

PARENT -> CONSTITUENT ALWAYS PRESENT

Qualification:

USP