13-EPISCLAREOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H36O2
Molecular Weight	308.4986
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)C=C

InChI

InChIKey=XVULBTBTFGYVRC-GRLGQGAKSA-N

InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18+,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H36O2
Molecular Weight	308.4986
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 00:57:46 GMT 2025` Edited by `admin` on `Wed Apr 02 00:57:46 GMT 2025`
Record UNII	A1A2FI1KEJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

13-EPISCLAREOL

Common Name

English

EPISCLAREOL

Preferred Name

English

1-NAPHTHALENEPROPANOL, .ALPHA.-ETHENYLDECAHYDRO-2-HYDROXY-.ALPHA.,2,5,5,8A-PENTAMETHYL-, (.ALPHA.S,1R,2R,4AS,8AS)-

Systematic Name

English

(.ALPHA.S,1R,2R,4AS,8AS)-.ALPHA.-ETHENYLDECAHYDRO-2-HYDROXY-.ALPHA.,2,5,5,8A-PENTAMETHYL-1-NAPHTHALENEPROPANOL

Systematic Name

English

ISOSCLAREOL

Common Name

English

Code System Code Type Description

CAS

4630-08-4

Created by admin on Wed Apr 02 00:57:46 GMT 2025 , Edited by admin on Wed Apr 02 00:57:46 GMT 2025

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PUBCHEM

7093249

Created by admin on Wed Apr 02 00:57:46 GMT 2025 , Edited by admin on Wed Apr 02 00:57:46 GMT 2025

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FDA UNII

A1A2FI1KEJ

Created by admin on Wed Apr 02 00:57:46 GMT 2025 , Edited by admin on Wed Apr 02 00:57:46 GMT 2025

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EPA CompTox

DTXSID50109996

Created by admin on Wed Apr 02 00:57:46 GMT 2025 , Edited by admin on Wed Apr 02 00:57:46 GMT 2025

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