.BETA.-BERGAMOTENE, CIS-

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-KKUMJFAQSA-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	AAL9723E26
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-BERGAMOTENE, CIS-

Common Name

English

(+)-CIS-.BETA.-BERGAMOTENE

Preferred Name

English

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

Systematic Name

English

(+)-ENDO-.BETA.-BERGAMOTENE

Common Name

English

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

Systematic Name

English

(Z)-.ALPHA.-BERGAMOTENE

Common Name

English

Code System Code Type Description

PUBCHEM

12300073

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

AAL9723E26

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

DTXSID401336983

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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CAS

15438-93-4

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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