3'-O-(.BETA.-HYDROXYETHYL)RUTOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H34O17
Molecular Weight	654.5701
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3'-O-(.BETA.-HYDROXYETHYL)RUTOSIDE

Structure Search

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C3=O)C(O)=CC(O)=C4)C5=CC=C(O)C(OCCO)=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=KMQBDKNWNLORNQ-BDAFLREQSA-N

InChI=1S/C29H34O17/c1-10-19(34)22(37)24(39)28(43-10)42-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-14(33)7-12(31)8-16(18)44-26(27)11-2-3-13(32)15(6-11)41-5-4-30/h2-3,6-8,10,17,19-20,22-25,28-35,37-40H,4-5,9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H34O17
Molecular Weight	654.5701
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 `Sat Dec 16 10:04:59 GMT 2023` Edited by `admin` on `Sat Dec 16 10:04:59 GMT 2023`
Record UNII	3S989A33QR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3'-O-(.BETA.-HYDROXYETHYL)RUTOSIDE

Common Name

English

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

Systematic Name

English

O-(.BETA.-HYDROXYETHYL)RUTOSIDE, 3'-

Common Name

English

Code System Code Type Description

CAS

125092-04-8

Created by admin on Sat Dec 16 10:04:59 GMT 2023 , Edited by admin on Sat Dec 16 10:04:59 GMT 2023

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PUBCHEM

72710791

Created by admin on Sat Dec 16 10:04:59 GMT 2023 , Edited by admin on Sat Dec 16 10:04:59 GMT 2023

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FDA UNII

3S989A33QR

Created by admin on Sat Dec 16 10:04:59 GMT 2023 , Edited by admin on Sat Dec 16 10:04:59 GMT 2023

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