O-ETHYLRUTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H34O16
Molecular Weight	638.5707
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC1=C2C(=O)C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)=C(OC2=CC(O)=C1)C5=CC=C(O)C(O)=C5

InChI

InChIKey=UBTWOFZUTQOWHX-BDAFLREQSA-N

InChI=1S/C29H34O16/c1-3-40-15-7-12(30)8-16-18(15)21(35)27(26(43-16)11-4-5-13(31)14(32)6-11)45-29-25(39)23(37)20(34)17(44-29)9-41-28-24(38)22(36)19(33)10(2)42-28/h4-8,10,17,19-20,22-25,28-34,36-39H,3,9H2,1-2H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H34O16
Molecular Weight	638.5707
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 19:43:58 GMT 2023` Edited by `admin` on `Fri Dec 15 19:43:58 GMT 2023`
Record UNII	XHQ6J54LI5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-ETHYLRUTIN

Common Name

English

ETHYL RUTIN, O-

Common Name

English

4H-1-BENZOPYRAN-4-ONE, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-, MONOETHYL ETHER

Systematic Name

English

O-ETHYLRUTOSIDE

Common Name

English

Code System Code Type Description

CAS

36057-92-8