epifriedelinol

epifriedelinol
Compound Structure:
Synonyms: (3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
Compound ID: NMPC-684
PubChem ID:

119242
Molecular Formula: C30H52O
Canonical SMILES: CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O
InChIKey: XCDQFROEGGNAER-PFOIMGGJSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

428.7 g/mol

XLogP3-AA

10.1

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

428.401816278 g/mol

Monoisotopic Mass

428.401816278 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

31

Formal Charge

0

Complexity

741

Isotope Atom Count

0

Defined Atom Stereocenter Count

10

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: Euphorbia kamerunica
Download SDF