Lup-20(29)-ene-3,28-diol

Lup-20(29)-ene-3,28-diol
Compound Structure:
Synonyms: 3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol; Lup-20(29)-ene-3,28-diol; Lup-20(29)-ene-3.beta.,28-diol; Lup-20(30)-ene-3.beta.,28-diol
Compound ID: NMPC-1216
PubChem ID:

221023
Molecular Formula: C30H50O2
Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
InChIKey: FVWJYYTZTCVBKE-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

442.7 g/mol

XLogP3-AA

8.3

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

Exact Mass

442.381080833 g/mol

Monoisotopic Mass

442.381080833 g/mol

Topological Polar Surface Area

40.5Ų

Heavy Atom Count

32

Formal Charge

0

Complexity

786

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

10

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                        
Source Species: Grewia mollis
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