EMODIN-8-O-.BETA.-GENTIOBIOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H30O15
Molecular Weight	594.5181
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of EMODIN-8-O-.BETA.-GENTIOBIOSIDE

Structure Search

SMILES

CC1=CC(O)=C2C(=O)C3=C(C=C(O)C=C3O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C(=O)C2=C1

InChI

InChIKey=CAWCIUJVWYETGQ-ONMHTNRHSA-N

InChI=1S/C27H30O15/c1-8-2-10-16(12(30)3-8)21(34)17-11(18(10)31)4-9(29)5-13(17)40-27-25(38)23(36)20(33)15(42-27)7-39-26-24(37)22(35)19(32)14(6-28)41-26/h2-5,14-15,19-20,22-30,32-33,35-38H,6-7H2,1H3/t14-,15-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H30O15
Molecular Weight	594.5181
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 `Fri Dec 15 20:16:53 GMT 2023` Edited by `admin` on `Fri Dec 15 20:16:53 GMT 2023`
Record UNII	W2DPV427KS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EMODIN-8-O-.BETA.-GENTIOBIOSIDE

Common Name

English

9,10-ANTHRACENEDIONE, 1-((6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-3,8-DIHYDROXY-6-METHYL-

Common Name

English

Code System Code Type Description

PUBCHEM

71587230

Created by admin on Fri Dec 15 20:16:54 GMT 2023 , Edited by admin on Fri Dec 15 20:16:54 GMT 2023

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CAS

66466-22-6

Created by admin on Fri Dec 15 20:16:54 GMT 2023 , Edited by admin on Fri Dec 15 20:16:54 GMT 2023

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FDA UNII

W2DPV427KS

Created by admin on Fri Dec 15 20:16:54 GMT 2023 , Edited by admin on Fri Dec 15 20:16:54 GMT 2023

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EPA CompTox

DTXSID20216681

Created by admin on Fri Dec 15 20:16:54 GMT 2023 , Edited by admin on Fri Dec 15 20:16:54 GMT 2023

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