Gratioside

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H68O14
Molecular Weight	796.9809
Optical Activity	( + )
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2(C)[C@]3([H])CC=C4[C@@]([H])(CC[C@H](O[C@]5([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C)[C@]6(C)CC[C@H](O6)C(C)(C)O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O

InChI

InChIKey=MEOQGLVBDBQZTF-LPXUVMGASA-N

InChI=1S/C42H68O14/c1-37(2)20-9-11-25-39(5)15-13-24(41(7)16-14-28(55-41)38(3,4)56-36-34(51)32(49)30(47)23(19-44)53-36)40(39,6)17-26(45)42(25,8)21(20)10-12-27(37)54-35-33(50)31(48)29(46)22(18-43)52-35/h9,21-25,27-36,43-44,46-51H,10-19H2,1-8H3/t21-,22-,23-,24+,25+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,39+,40-,41+,42+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C42H68O14
Molecular Weight	796.9809
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:03:46 GMT 2023` Edited by `admin` on `Sat Dec 16 09:03:46 GMT 2023`
Record UNII	UP4KKE36LZ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Gratioside

Common Name

English

GRATIOSIDE [MI]

Common Name

English

19-Norlanost-5-en-11-one, 20,24-epoxy-3,25-bis(β-D-glucopyranosyloxy)-9-methyl-, (3β,9β,10α,24S)-

Systematic Name

English

Glucoside, gratiogenin, β-D-

Common Name

English

GRATIOLIN

Common Name

English

Code System Code Type Description

PUBCHEM

160951