spinasterol

Compound Structure:

Synonyms:

alpha-Spinasterol; Spinasterol; 481-18-5; Bessisterol ;a-Spinasterol

Compound ID:

NMPC-1495

PubChem ID:

Molecular Formula:

C29H48O

Canonical SMILES:

CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C

InChIKey:

JZVFJDZBLUFKCA-FXIAWGAOSA-N

About the compound:

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	412.7 g/mol
XLogP3-AA	8.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	412.370516150 g/mol
Monoisotopic Mass	412.370516150 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	674
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source:PubChem

Source Species:

Crotalaria retusa
Cucurbita pepo
crossopterxy febrifuga

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