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

CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2CC[C@](C)(O2)[C@H]3CC[C@@]4(C)[C@@H]5CC=C6[C@@H](CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C6(C)C)[C@]5(C)C(=O)C[C@]34C

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 `Mon Mar 31 22:27:39 GMT 2025` Edited by `admin` on `Mon Mar 31 22:27:39 GMT 2025`
Record UNII	UP4KKE36LZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GRATIOLIN

Preferred Name

English

Gratioside

Common Name

English

GRATIOSIDE [MI]

Common Name

English

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

Systematic Name

English

Glucoside, gratiogenin, ?-D-

Common Name

English

Code System Code Type Description

PUBCHEM

160951