prim-O-Glucosylcimifugin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28O11
Molecular Weight	468.4511
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C2C[C@H](OC2=CC3=C1C(=O)C=C(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O3)C(C)(C)O

InChI

InChIKey=XIUVHOSBSDYXRG-UVTAEQIVSA-N

InChI=1S/C22H28O11/c1-22(2,28)15-5-10-12(32-15)6-13-16(20(10)29-3)11(24)4-9(31-13)8-30-21-19(27)18(26)17(25)14(7-23)33-21/h4,6,14-15,17-19,21,23,25-28H,5,7-8H2,1-3H3/t14-,15+,17-,18+,19-,21-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

prim-O-Glucosylcimifugin

Common Name

English

(S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-2,3-dihydro-5H-furo[3,2-g]chromen-5-one

Common Name

English

(2S)-7-[(β-D-Glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-5H-furo[3,2-g][1]benzopyran-5-one

Systematic Name

English

Cimicifuga glycoside

Common Name

English

5H-Furo[3,2-g][1]benzopyran-5-one, 7-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-, (S)-

Common Name

English

Code System Code Type Description

CAS

80681-45-4

Created by admin on Sat Dec 16 19:55:37 GMT 2023 , Edited by admin on Sat Dec 16 19:55:37 GMT 2023

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PUBCHEM

14034912

Created by admin on Sat Dec 16 19:55:37 GMT 2023 , Edited by admin on Sat Dec 16 19:55:37 GMT 2023

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FDA UNII

NZ97LQV2BL

Created by admin on Sat Dec 16 19:55:37 GMT 2023 , Edited by admin on Sat Dec 16 19:55:37 GMT 2023

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EPA CompTox

DTXSID90554764

Created by admin on Sat Dec 16 19:55:37 GMT 2023 , Edited by admin on Sat Dec 16 19:55:37 GMT 2023

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SUBSTANCE RECORD


					NZ97LQV2BL

prim-O-Glucosylcimifugin