Mussaenoside

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H26O10
Molecular Weight	390.3823
Optical Activity	( - )
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3[C@@H]1CC[C@]3(C)O

InChI

InChIKey=XBGJTRDIWPEIMG-DUMNYRKASA-N

InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3/t7-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H26O10
Molecular Weight	390.3823
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:31:37 GMT 2025` Edited by `admin` on `Wed Apr 02 20:31:37 GMT 2025`
Record UNII	G74LVE833Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Mussaenoside

Common Name

English

(1S,4aS,7S,7aS)-Methyl 7-hydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Preferred Name

English

Cyclopenta[c]pyran-4-carboxylic acid, 1-(?-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-, methyl ester, (1S,4aS,7S,7aS)-

Systematic Name

English

Cyclopenta[c]pyran-4-carboxylic acid, 1-(?-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-, methyl ester, [1S-(1?,4a?,7?,7a?)]-

Systematic Name

English

Code System Code Type Description

FDA UNII

G74LVE833Z

Created by admin on Wed Apr 02 20:31:37 GMT 2025 , Edited by admin on Wed Apr 02 20:31:37 GMT 2025

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EPA CompTox

DTXSID60982994

Created by admin on Wed Apr 02 20:31:37 GMT 2025 , Edited by admin on Wed Apr 02 20:31:37 GMT 2025

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PUBCHEM

182423

Created by admin on Wed Apr 02 20:31:37 GMT 2025 , Edited by admin on Wed Apr 02 20:31:37 GMT 2025

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CAS

64421-27-8

Created by admin on Wed Apr 02 20:31:37 GMT 2025 , Edited by admin on Wed Apr 02 20:31:37 GMT 2025

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