.BETA.-BERGAMOTENE, TRANS-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H24
Molecular Weight	204.3511
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)=CCC[C@]1(C)[C@@H]2C[C@H]1C(=C)CC2

InChI

InChIKey=DGZBGCMPRYFWFF-SOUVJXGZSA-N

InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H24
Molecular Weight	204.3511
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:33:47 GMT 2025` Edited by `admin` on `Tue Apr 01 16:33:47 GMT 2025`
Record UNII	HUX3KW3H6H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(-)-.BETA.-TRANS-BERGAMOTENE

Preferred Name

English

.BETA.-BERGAMOTENE, TRANS-

Common Name

English

EXO-.BETA.-BERGAMOTENE

Common Name

English

(E)-BERGAMOTENE

Common Name

English

(1S,5S,6R)-6-METHYL-2-METHYLENE-6-(4-METHYL-3-PENTEN-1-YL)BICYCLO(3.1.1)HEPTANE

Systematic Name

English

BICYCLO(3.1.1)HEPTANE, 6-METHYL-2-METHYLENE-6-(4-METHYL-3-PENTEN-1-YL)-, (1S,5S,6R)-

Systematic Name

English

Code System Code Type Description

CAS

15438-94-5

Created by admin on Tue Apr 01 16:33:47 GMT 2025 , Edited by admin on Tue Apr 01 16:33:47 GMT 2025

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PUBCHEM

12300069

Created by admin on Tue Apr 01 16:33:47 GMT 2025 , Edited by admin on Tue Apr 01 16:33:47 GMT 2025

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FDA UNII

HUX3KW3H6H

Created by admin on Tue Apr 01 16:33:47 GMT 2025 , Edited by admin on Tue Apr 01 16:33:47 GMT 2025

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EPA CompTox

DTXSID701336982

Created by admin on Tue Apr 01 16:33:47 GMT 2025 , Edited by admin on Tue Apr 01 16:33:47 GMT 2025

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