3,5-stigmastadien-7-one

3,5-stigmastadien-7-one
Compound Structure:
Synonyms: Stigmasta-3,5-dien-7-one;2034-72-2;Tremulone;.beta.-Saccharostenone;3,5-Stigmastadien-7-one;SCHEMBL4321442;DTXSID10498499
Compound ID: NMPC-321
PubChem ID:

12444466
Molecular Formula: C29H46O
Canonical SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC=C4)C)C)C(C)C
InChIKey: LCFUUGFUQQAYMY-CJAQKTMASA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

410.7 g/mol

XLogP3-AA

9.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

6

Exact Mass

410.354866087 g/mol

Monoisotopic Mass

410.354866087 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

30

Formal Charge

0

Complexity

714

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: Vernonia blumeoides
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