PATRINOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H34O11
Molecular Weight	462.4881
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3C[C@H](O)[C@H](CO)[C@@H]13

InChI

InChIKey=BGDMXWQJUGENQP-QPCLWJSESA-N

InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16+,17-,18+,19-,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H34O11
Molecular Weight	462.4881
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:39:28 GMT 2025` Edited by `admin` on `Tue Apr 01 16:39:28 GMT 2025`
Record UNII	59436L0YS2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

((1S,4AS,6S,7S,7AS)-1,4A,5,6,7,7A-HEXAHYDRO-6-HYDROXY-7-(HYDROXYMETHYL)-1-(3-METHYL-1-OXOBUTOXY)CYCLOPENTA(C)PYRAN-4-YL)METHYL .BETA.-D-GLUCOPYRANOSIDE

Preferred Name

English

PATRINOSIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, ((1S,4AS,6S,7S,7AS)-1,4A,5,6,7,7A-HEXAHYDRO-6-HYDROXY-7-(HYDROXYMETHYL)-1-(3-METHYL-1-OXOBUTOXY)CYCLOPENTA(C)PYRAN-4-YL)METHYL

Systematic Name

English

.BETA.-D-GLUCOPYRANOSIDE, (1,4A,5,6,7,7A-HEXAHYDRO-6-HYDROXY-7-(HYDROXYMETHYL)-1-(3-METHYL-1-OXOBUTOXY)CYCLOPENTA(C)PYRAN-4-YL)METHYL, (1S-(1.ALPHA.,4A.ALPHA.,6.ALPHA.,7.ALPHA.,7A.ALPHA.))-

Systematic Name

English

Code System Code Type Description

CAS

53962-20-2

Created by admin on Tue Apr 01 16:39:28 GMT 2025 , Edited by admin on Tue Apr 01 16:39:28 GMT 2025

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PUBCHEM

162135

Created by admin on Tue Apr 01 16:39:28 GMT 2025 , Edited by admin on Tue Apr 01 16:39:28 GMT 2025

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EPA CompTox

DTXSID20968774

Created by admin on Tue Apr 01 16:39:28 GMT 2025 , Edited by admin on Tue Apr 01 16:39:28 GMT 2025

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FDA UNII

59436L0YS2

Created by admin on Tue Apr 01 16:39:28 GMT 2025 , Edited by admin on Tue Apr 01 16:39:28 GMT 2025

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