(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene

Compound number:
MolPort-000-002-651
CAS number: 118-65-0; 87-44-5
IUPAC:
(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
IUPAC traditional:
isocaryophyllene
SMILES:
C\C1=C\CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1 |r,t:1|
InChI key:
NPNUFJAVOOONJE-FLFDDASRSA-N
Molecular formula:
C15H24
Molecular weight: 204.357

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: >=98%
Last updated: > 3 months ago In warehouse: Unverified
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20 mg September 2, 2019 40.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-000-002-651
CAS number: 118-65-0; 87-44-5

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000030726969
[1R-(1R*,4Z,9S*)]-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
beta-Caryophyllene
??-Caryophyllene
Isocaryophyllene (80%)
trans-Caryophyllene

InChI
InChI: 1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,14-/m1/s1
InChI key: NPNUFJAVOOONJE-FLFDDASRSA-N

Calculated Properties
Molecular formula: C15H24
Molecular weight: 204.357

Other

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2019 MolPort, v3.11, release date 23-08-2019 16:00 (+0200). All rights reserved.
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