QUILLAJASAPONIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H54O11
Molecular Weight	662.8074
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)CC[C@@]2([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]6O)C(O)=O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O

InChI

InChIKey=PIGTXFOGKFOFTO-FVFWYJKVSA-N

InChI=1S/C36H54O11/c1-31(2)13-14-36(30(44)45)19(15-31)18-7-8-21-32(3)11-10-23(46-29-26(41)24(39)25(40)27(47-29)28(42)43)33(4,17-37)20(32)9-12-34(21,5)35(18,6)16-22(36)38/h7,17,19-27,29,38-41H,8-16H2,1-6H3,(H,42,43)(H,44,45)/t19-,20+,21+,22+,23-,24-,25-,26+,27-,29+,32-,33-,34+,35+,36+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C36H54O11
Molecular Weight	662.8074
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:00:27 GMT 2025` Edited by `admin` on `Wed Apr 02 08:00:27 GMT 2025`
Record UNII	69V6789ZRU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QUILLAJASAPONIN

Common Name

English

KIRAYANIN

Preferred Name

English

QUILLAJANIN S

Common Name

English

QUILLAIC ACID 3-O-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.ALPHA.)-17-CARBOXY-16-HYDROXY-23-OXO-28-NOROLEAN-12-EN-3-YL-

Systematic Name

English

(3.BETA.,4.ALPHA.,16.ALPHA.)-17-CARBOXY-16-HYDROXY-23-OXO-28-NOROLEAN-12-EN-3-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

Code System Code Type Description

CAS

1393-03-9

Created by admin on Wed Apr 02 08:00:27 GMT 2025 , Edited by admin on Wed Apr 02 08:00:27 GMT 2025

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EPA CompTox

DTXSID50930429

Created by admin on Wed Apr 02 08:00:27 GMT 2025 , Edited by admin on Wed Apr 02 08:00:27 GMT 2025

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PUBCHEM

21599876

Created by admin on Wed Apr 02 08:00:27 GMT 2025 , Edited by admin on Wed Apr 02 08:00:27 GMT 2025

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FDA UNII

69V6789ZRU

Created by admin on Wed Apr 02 08:00:27 GMT 2025 , Edited by admin on Wed Apr 02 08:00:27 GMT 2025

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