HASTATOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H24O11
Molecular Weight	404.3659
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12[C@@H](C)CC(=O)[C@]1(O)C(=CO[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=O)OC

InChI

InChIKey=PRZVXHGUJJPSME-CZMSZWGTSA-N

InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13+,15-,16-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H24O11
Molecular Weight	404.3659
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:11:46 GMT 2023` Edited by `admin` on `Sat Dec 16 01:11:46 GMT 2023`
Record UNII	Y7WKJ7982U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

HASTATOSIDE

Common Name

English

1.ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A.ALPHA.-HEXAHYDRO-4A.ALPHA.-HYDROXY-7.ALPHA.-METHYL-5-OXOCYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID METHYL ESTER

Systematic Name

English

METHYL (1S,4AR,7S,7AR)-4A-HYDROXY-7-METHYL-5-OXO-1-(((2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXY)-1H,4AH,5H,6H,7H,7AH-CYCLOPENTA(C)PYRAN-4-CARBOXYLATE

Systematic Name

English

CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A-HEXAHYDRO-4A-HYDROXY-7-METHYL-5-OXO-, METHYL ESTER, (1S-(1.ALPHA.,4A.ALPHA.,7.ALPHA.,7A.ALPHA.))-

Systematic Name

English

5-HYDROXYVERBENALIN

Common Name

English

CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,6,7,7A-HEXAHYDRO-4A-HYDROXY-7-METHYL-5-OXO-, METHYL ESTER, (1S,4AR,7S,7AR)-

Systematic Name

English

Code System Code Type Description

CAS

50816-24-5

Created by admin on Sat Dec 16 01:11:46 GMT 2023 , Edited by admin on Sat Dec 16 01:11:46 GMT 2023

PRIMARY

PUBCHEM

92043450

Created by admin on Sat Dec 16 01:11:46 GMT 2023 , Edited by admin on Sat Dec 16 01:11:46 GMT 2023

PRIMARY

FDA UNII

Y7WKJ7982U

Created by admin on Sat Dec 16 01:11:46 GMT 2023 , Edited by admin on Sat Dec 16 01:11:46 GMT 2023

PRIMARY

EPA CompTox

DTXSID30904209

Created by admin on Sat Dec 16 01:11:46 GMT 2023 , Edited by admin on Sat Dec 16 01:11:46 GMT 2023

PRIMARY

Related Record Type Details


					Y7WKJ7982U

HASTATOSIDE

ACTIVE MOIETY