Abietatriene

Compound Structure:

Synonyms:

Abietatriene;Dehydroabietane;Abieta-8,11,13-triene;Dehydroabietan;Podocarpa-8,11,13-triene, 13-isopropyl-;CHEBI:86062;Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-

Compound ID:

NMPC-543

PubChem ID:

6432211

Molecular Formula:

C20H30

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C

InChIKey:

QUUCYKKMFLJLFS-AZUAARDMSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	270.5 g/mol
XLogP3-AA	7.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	270.234750957 g/mol
Monoisotopic Mass	270.234750957 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	353
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Taxodium distichum

Download SDF