Ergost-5-en-3-ol

Ergost-5-en-3-ol
Compound Structure:
Synonyms: "Ergost-5-en-3-ol "
Compound ID: NMPC-1019
PubChem ID:

18660356
Molecular Formula: C28H48O
Canonical SMILES: CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChIKey: SGNBVLSWZMBQTH-AUZDMFNXSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

400.7 g/mol

XLogP3-AA

8.8

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

5

Exact Mass

400.370516150 g/mol

Monoisotopic Mass

400.370516150 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

29

Formal Charge

0

Complexity

620

Isotope Atom Count

0

Defined Atom Stereocenter Count

8

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Pennisetum purpureum
Zanthoxylum zanthoxyloides
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