IST-622

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H40O16
Molecular Weight	800.7574
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12O[C@H](O[C@]1([H])[C@@H](O[C@@]3([H])O[C@H](C)[C@H](O)[C@H](OC)[C@H]3O)[C@H](OC4=CC=CC5=C4C6=C7C(C(=O)OC8=CC=C(C)C(C(=O)O6)=C78)=C5OC(=O)CCO)O[C@@H]2C)C9=CC=CC=C9

InChI

InChIKey=KZEJHRUYDQACMK-AQIWENHBSA-N

InChI=1S/C42H40O16/c1-17-13-14-23-27-25(17)38(47)55-34-26-21(33(54-24(44)15-16-43)29(28(27)34)39(48)52-23)11-8-12-22(26)53-42-37(58-41-31(46)35(49-4)30(45)18(2)50-41)36-32(19(3)51-42)56-40(57-36)20-9-6-5-7-10-20/h5-14,18-19,30-32,35-37,40-43,45-46H,15-16H2,1-4H3/t18-,19-,30+,31-,32+,35+,36+,37-,40-,41-,42+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C42H40O16
Molecular Weight	800.7574
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:18:03 UTC 2023` Edited by `admin` on `Sat Dec 16 10:18:03 UTC 2023`
Record UNII	MR5LM7ZGX8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IST-622

Common Name

English

6-O-(3-ethoxypropionyl)-3',4'-O-exo- benzylidenechartreusin

Common Name

English

NSC-639830

Code

English

IST 622

Code

English

PROPANOIC ACID, 3-ETHOXY-, 10-((6-DEOXY-2-O-(6-DEOXY-3-O-METHYL-.ALPHA.-D-GALACTOPYRANOSYL)-3,4-O-((S)-PHENYLMETHYLENE)-.BETA.-D-GALACTOPYRANOSYL)OXY)-5,12-DIHYDRO-1-METHYL-5,12-DIOXOBENZO(H)(1)BENZOPYRANO(5,4,3-CDE)(1)BENZOPYRAN-6-YL ESTER

Systematic Name

English

Code System Code Type Description

NSC

639830