epi-santalene

Compound Structure:

Synonyms:

(1S,2S,4R)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane; Epi-beta-Santalene

Compound ID:

NMPC-1014

PubChem ID:

Molecular Formula:

C15H24

Canonical SMILES:

CC(=CCCC1(C2CCC(C2)C1=C)C)C

InChIKey:

PGBNIHXXFQBCPU-QLFBSQMISA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	204.35 g/mol
XLogP3-AA	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	204.187800766 g/mol
Monoisotopic Mass	204.187800766 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	293
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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:

Murraya Koenigii

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