SCOPARIN HEPTAACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H36O18
Molecular Weight	756.6602
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC=C1OC(C)=O)C2=CC(=O)C3=C(OC(C)=O)C=C(OC(C)=O)C([C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)=C3O2

InChI

InChIKey=WRBBCEWBHQVVTL-HDTFRHKVSA-N

InChI=1S/C36H36O18/c1-15(37)46-14-29-32(50-19(5)41)35(51-20(6)42)36(52-21(7)43)34(54-29)31-28(49-18(4)40)13-27(48-17(3)39)30-23(44)12-25(53-33(30)31)22-9-10-24(47-16(2)38)26(11-22)45-8/h9-13,29,32,34-36H,14H2,1-8H3/t29-,32-,34+,35+,36+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H36O18
Molecular Weight	756.6602
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:14:20 GMT 2023` Edited by `admin` on `Sat Dec 16 07:14:20 GMT 2023`
Record UNII	7P9U029D1O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCOPARIN HEPTAACETATE

Common Name

English

SCOPARIN, HEPTAACETATE

Common Name

English

4H-1-BENZOPYRAN-4-ONE, 5,7-BIS(ACETYLOXY)-2-(4-(ACETYLOXY)-3-METHOXYPHENYL)-8-(2,3,4,6-TETRA-O-ACETYL-.BETA.-D-GLUCOPYRANOSYL)-

Common Name

English

SCOPARIN HEPTAACETATE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

7P9U029D1O