CASTAVINOL C3

Details

Stereochemistry	EPIMERIC
Molecular Formula	C26H30O14
Molecular Weight	566.508
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC(O)=C1O)[C@]23OC(C)([C@H]([C@H]2O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C5=C(O)C=C(O)C=C5O3)C(C)=O

InChI

InChIKey=ADFRCNLBRJARNV-MHDKHVFCSA-N

InChI=1S/C26H30O14/c1-9(28)25(2)18-17-12(30)6-11(29)7-14(17)39-26(40-25,10-4-13(31)19(32)15(5-10)36-3)23(18)38-24-22(35)21(34)20(33)16(8-27)37-24/h4-7,16,18,20-24,27,29-35H,8H2,1-3H3/t16-,18+,20-,21+,22-,23-,24+,25?,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H30O14
Molecular Weight	566.508
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:39:57 GMT 2025` Edited by `admin` on `Wed Apr 02 08:39:57 GMT 2025`
Record UNII	ZHZ5SCW9G9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-HYDROXYCASTAVINOL

Preferred Name

English

CASTAVINOL C3

Common Name

English

ETHANONE, 1-(2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-10-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,5-DIHYDRO-6,8-DIHYDROXY-4-METHYL-2,5-METHANO-1,3-BENZODIOXEPIN-4-YL)-, (2S,5S,10R)-

Systematic Name

English

ETHANONE, 1-((2S,5S,10R)-2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-10-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,5-DIHYDRO-6,8-DIHYDROXY-4-METHYL-2,5-METHANO-1,3-BENZODIOXEPIN-4-YL)-

Systematic Name

English

1-((2S,5S,10R)-2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-10-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,5-DIHYDRO-6,8-DIHYDROXY-4-METHYL-2,5-METHANO-1,3-BENZODIOXEPIN-4-YL)ETHANONE

Systematic Name

English

Code System Code Type Description

FDA UNII

ZHZ5SCW9G9