14,15-ANHYDROANDROGRAPHOLIDE, (1S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O4
Molecular Weight	332.4339
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 14,15-ANHYDROANDROGRAPHOLIDE, (1S)-

Structure Search

SMILES

C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@@H](C\C=C3/C=COC3=O)C(=C)CC[C@H]12

InChI

InChIKey=YIIRVUDGRKEWBV-CZUXAOBFSA-N

InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5,9,11,15-17,21-22H,1,4,6-8,10,12H2,2-3H3/b14-5+/t15-,16-,17+,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O4
Molecular Weight	332.4339
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 22:47:55 GMT 2025` Edited by `admin` on `Tue Apr 01 22:47:55 GMT 2025`
Record UNII	010E4IV714
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

14,15-ANHYDROANDROGRAPHOLIDE, (1S)-

Common Name

English

2(3H)-FURANONE, 3-(2-((1S,4AS,5R,6R,8AS)-DECAHYDRO-6-HYDROXY-5-(HYDROXYMETHYL)-5,8A-DIMETHYL-2-METHYLENE-1-NAPHTHALENYL)ETHYLIDENE)-, (3E)-

Preferred Name

English

Code System Code Type Description

CAS

134418-28-3

Created by admin on Tue Apr 01 22:47:55 GMT 2025 , Edited by admin on Tue Apr 01 22:47:55 GMT 2025

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EPA CompTox

DTXSID301314463

Created by admin on Tue Apr 01 22:47:55 GMT 2025 , Edited by admin on Tue Apr 01 22:47:55 GMT 2025

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PUBCHEM

78577438

Created by admin on Tue Apr 01 22:47:55 GMT 2025 , Edited by admin on Tue Apr 01 22:47:55 GMT 2025

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FDA UNII

010E4IV714

Created by admin on Tue Apr 01 22:47:55 GMT 2025 , Edited by admin on Tue Apr 01 22:47:55 GMT 2025

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