LICORICESAPONIN B2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H64O15
Molecular Weight	808.9486
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CC[C@@](C)(C[C@H]1C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(O)=O

InChI

InChIKey=BCNKILSUUHWRTG-JVHDORQOSA-N

InChI=1S/C42H64O15/c1-37(2)21-10-13-42(7)22(9-8-19-20-18-39(4,36(52)53)15-14-38(20,3)16-17-41(19,42)6)40(21,5)12-11-23(37)54-35-31(27(46)26(45)30(56-35)33(50)51)57-34-28(47)24(43)25(44)29(55-34)32(48)49/h8,20-31,34-35,43-47H,9-18H2,1-7H3,(H,48,49)(H,50,51)(H,52,53)/t20-,21-,22+,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35+,38+,39-,40-,41+,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H64O15
Molecular Weight	808.9486
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:57:08 GMT 2025` Edited by `admin` on `Mon Mar 31 21:57:08 GMT 2025`
Record UNII	KDK5Z8X5JE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LICORICESAPONIN B2

Common Name

English

11-DEOXOGLYCYRRHIZIN

Preferred Name

English

SAPONIN B2, FROM LICORICE

Common Name

English

LICORICE-SAPONIN B2

Common Name

English

(2S,3S,4S,5R,6R)-6-((2R,3R,4S,5S,6S)-2-(((3S,4AR,6AR,6BS,8AS,11S,12AR,14AR,14BR)-11-CARBOXY-4,4,6A,6B,8A,11,14B-HEPTAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICEN-3-YL)OXY)-6-CARBOXY-4,5-DIHYDROXYOXAN-3-YL)OXY-3,4,5-TRIHYDROXYOXANE-2-CAR

Systematic Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.)-20-CARBOXY-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

KDK5Z8X5JE

Created by admin on Mon Mar 31 21:57:08 GMT 2025 , Edited by admin on Mon Mar 31 21:57:08 GMT 2025

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PUBCHEM

13457500

Created by admin on Mon Mar 31 21:57:08 GMT 2025 , Edited by admin on Mon Mar 31 21:57:08 GMT 2025

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EPA CompTox

DTXSID501315950

Created by admin on Mon Mar 31 21:57:08 GMT 2025 , Edited by admin on Mon Mar 31 21:57:08 GMT 2025

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CAS

118536-86-0

Created by admin on Mon Mar 31 21:57:08 GMT 2025 , Edited by admin on Mon Mar 31 21:57:08 GMT 2025

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