LICORICESAPONIN C2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H62O15
Molecular Weight	806.9327
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]7(O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@]1([H])O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])C=CC5=C6C[C@](C)(CC[C@]6(C)CC[C@@]45C)C(O)=O)C2(C)C)C(O)=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O

InChI

InChIKey=WPDHECQXVOACTR-MOBXHYNLSA-N

InChI=1S/C42H62O15/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/h8-9,21-31,34-35,43-47H,10-18H2,1-7H3,(H,48,49)(H,50,51)(H,52,53)/t21-,22+,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35+,38+,39-,40-,41+,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H62O15
Molecular Weight	806.9327
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:41:12 UTC 2023` Edited by `admin` on `Sat Dec 16 09:41:12 UTC 2023`
Record UNII	3VCU7FL2GT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LICORICESAPONIN C2

Common Name

English

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

Systematic Name

English

LICORICE-SAPONIN C2

Common Name

English

SAPONIN C2, FROM LICORICE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.)-20-CARBOXY-30-NOROLEANA-11,13(18)-DIEN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-

Systematic Name

English

11-DEOXO-11,13-GLYCYRRHIZINDIENE

Common Name

English

(3.BETA.,20.BETA.)-20-CARBOXY-30-NOROLEANA-11,13(18)-DIEN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-.BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

3VCU7FL2GT

Created by admin on Sat Dec 16 09:41:12 UTC 2023 , Edited by admin on Sat Dec 16 09:41:12 UTC 2023

PRIMARY

PUBCHEM

452864

Created by admin on Sat Dec 16 09:41:12 UTC 2023 , Edited by admin on Sat Dec 16 09:41:12 UTC 2023

PRIMARY

EPA CompTox

DTXSID701315863

Created by admin on Sat Dec 16 09:41:12 UTC 2023 , Edited by admin on Sat Dec 16 09:41:12 UTC 2023

PRIMARY

CAS

118525-49-8

Created by admin on Sat Dec 16 09:41:12 UTC 2023 , Edited by admin on Sat Dec 16 09:41:12 UTC 2023

PRIMARY

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GLYCYRRHIZA URALENSIS ROOT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Structure elucidation of compound.

Amount: