NINANDROGRAPHOLIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H40O9
Molecular Weight	496.5904
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@]2(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CC[C@@]3(C)[C@H](CCC4=CCOC4=O)C(=C)CC[C@H]23

InChI

InChIKey=MEEPUSVTMHGIPC-MVGASCEISA-N

InChI=1S/C26H40O9/c1-14-4-7-18-25(2,16(14)6-5-15-9-11-33-23(15)32)10-8-19(28)26(18,3)13-34-24-22(31)21(30)20(29)17(12-27)35-24/h9,16-22,24,27-31H,1,4-8,10-13H2,2-3H3/t16-,17-,18+,19-,20-,21+,22-,24-,25+,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H40O9
Molecular Weight	496.5904
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:51:26 GMT 2025` Edited by `admin` on `Mon Mar 31 21:51:26 GMT 2025`
Record UNII	Z87B39FVT4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-NINANDROGRAPHOLIDE

Preferred Name

English

NINANDROGRAPHOLIDE

Common Name

English

ANDROPANOSIDE

Common Name

English

2(5H)-FURANONE, 3-(2-(5-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)DECAHYDRO-6-HYDROXY-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL)ETHYL)-, (1R-(1.ALPHA.,4A.BETA.,5.ALPHA.,6.ALPHA.,8A.ALPHA.))-

Systematic Name

English

2(5H)-FURANONE, 3-(2-((1R,4AS,5R,6R,8AS)-5-((.BETA.-D-GLUCOPYRANOSYLOXY)METHYL)DECAHYDRO-6-HYDROXY-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL)ETHYL)-

Systematic Name

English

Code System Code Type Description

CAS

82209-72-1

Created by admin on Mon Mar 31 21:51:26 GMT 2025 , Edited by admin on Mon Mar 31 21:51:26 GMT 2025

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FDA UNII

Z87B39FVT4

Created by admin on Mon Mar 31 21:51:26 GMT 2025 , Edited by admin on Mon Mar 31 21:51:26 GMT 2025

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PUBCHEM

44575270

Created by admin on Mon Mar 31 21:51:26 GMT 2025 , Edited by admin on Mon Mar 31 21:51:26 GMT 2025

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EPA CompTox

DTXSID701002559

Created by admin on Mon Mar 31 21:51:26 GMT 2025 , Edited by admin on Mon Mar 31 21:51:26 GMT 2025

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