Chemical substance record

(R)-cembrene A

31570-39-5C₂₀H₃₂272.476 g/mol

Organic/Inorganic Small MoleculeChEBI source record

A fourteen-membered macrocyclic diterpene consisting of 1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradecane having three endocyclic double bonds located at positions 1, 5 and 9. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	31570-39-5	ChEBI ↗
Molecular formula	C₂₀H₃₂	ChEBI ↗
Molar mass	272.476 g/mol	ChEBI ↗
Monoisotopic mass	272.2504 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:82800	ChEBI ↗

Names & structural identifiers

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Source preferred name

(R)-cembrene A

IUPAC name

(1E,5E,9E,12R)-1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradeca-1,5,9-triene

InChIKey

VWSPQDDPRITBAM-KPGNMOGWSA-N

SMILES

C=C(C)[C@H]1C/C=C(C)CC/C=C(C)CC/C=C(C)CC1

InChI

InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m0/s1

Names & synonyms

(1E,5E,9E,12R)-1,5,9-trimethyl-12-(prop-1-en-2-yl)cyclotetradeca-1,5,9-triene

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

diterpeneChEBI parent class · 35190 ↗cycloalkatrieneChEBI parent class · 36402 ↗macrocycleChEBI parent class · 51026 ↗

lipid hydrocarbon organic molecular entity

Roles recorded in ChEBI

animal metabolitecoral metaboliteplant metabolitebacterial metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00367005 mol

Uses 272.476 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 20 atoms

88.16%

H

Hydrogen · 32 atoms

11.84%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Cytotoxic terpenoids from the Formosan soft coral Nephthea brassica. ↗Journal of natural products · 1999 Nov · PMID 10579864

New terpene hydrocarbons from the alligatoridae (crocodylia, reptilia). ↗Journal of natural products · 2003 Jan · PMID 12542341

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:82800

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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