α- Costol

Compound Structure:

Synonyms:

alpha.-Costal ;4586-01-0 ; DTXSID501119754; Eudesma-3,11(13)-dien-12-al

Compound ID:

NMPC-1608

PubChem ID:

Molecular Formula:

C15H22O

Canonical SMILES:

CC1=CCCC2(C1CC(CC2)C(=C)C=O)C

InChIKey:

NNWMSIPNQKPGRM-QLFBSQMISA-N

About the compound:

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	218.33 g/mol
XLogP3-AA	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	218.167065321 g/mol
Monoisotopic Mass	218.167065321 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	339
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:

Crateva adansonii
Pteris togoensis

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