ALBENE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H18
Molecular Weight	162.2713
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@]12CC=C[C@]1(C)[C@H]3CC[C@@H]2C3

InChI

InChIKey=HKLBEHRJWPWLOB-QCNOEVLYSA-N

InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3/t9-,10+,11+,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C12H18
Molecular Weight	162.2713
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:49:38 UTC 2023` Edited by `admin` on `Sat Dec 16 09:49:38 UTC 2023`
Record UNII	FWK3TL8U3H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALBENE

Common Name

English

(-)-ALBENE

Common Name

English

4,7-METHANO-1H-INDENE, 3A,4,5,6,7,7A-HEXAHYDRO-3A,7A-DIMETHYL-, (3AS,4S,7R,7AS)-

Systematic Name

English

(3AS,4S,7R,7AS)-3A,4,5,6,7,7A-HEXAHYDRO-3A,7A-DIMETHYL-4,7-METHANO-1H-INDENE

Systematic Name

English

Code System Code Type Description

CAS

38451-64-8

Created by admin on Sat Dec 16 09:49:38 UTC 2023 , Edited by admin on Sat Dec 16 09:49:38 UTC 2023

PRIMARY

FDA UNII

FWK3TL8U3H

Created by admin on Sat Dec 16 09:49:38 UTC 2023 , Edited by admin on Sat Dec 16 09:49:38 UTC 2023

PRIMARY

PUBCHEM

11084199

Created by admin on Sat Dec 16 09:49:38 UTC 2023 , Edited by admin on Sat Dec 16 09:49:38 UTC 2023

PRIMARY

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Comments:

Major component of the volatile oil of butterbur.

Amount: