Stigmast-3,5-diene

Compound Structure:

Synonyms:

Stigmasta-3,5-diene ;4970-37-0; (24R)-METHYLCHOLESTA-3,5-DIENE AND (24R)-ETHYLCHOLESTA-3,5-DIENE (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene; 24-ethylchol

Compound ID:

NMPC-1501

PubChem ID:

13783149

Molecular Formula:

C29H48

Canonical SMILES:

CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC=C4)C)C)C(C)C

InChIKey:

ICCTZARHLGPHMT-BPIBQTEVSA-N

About the compound:

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	396.7 g/mol
XLogP3-AA	10.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Exact Mass	396.375601531 g/mol
Monoisotopic Mass	396.375601531 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	638
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
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:

Hippocratea indica

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