Friedelin

Friedelin
Compound Structure:
Synonyms: Friedelin; 559-74-0; Friedeline ;Friedelan-3-one ;(-)-Friedelin
Compound ID: NMPC-1057
PubChem ID:

91472
Molecular Formula: C30H50O
Canonical SMILES: CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C
InChIKey: OFMXGFHWLZPCFL-SVRPQWSVSA-N
About the compound:

Friedelin is a pentacyclictriterpenoid that is perhydropicene which is substituted by an oxo group at position 3 and by methyl groups at the 4, 4a, 6b, 8a, 11, 11, 12b, and 14a-positions (the 4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS-enantiomer). It is the major triterpenoid constituent of cork. It has a role as an anti-inflammatory drug, a non-narcotic analgesic, an antipyretic and a plant metabolite. It is a pentacyclictriterpenoid and a cyclic terpene ketone.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

426.7 g/mol

XLogP3-AA

9.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

426.386166214 g/mol

Monoisotopic Mass

426.386166214 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

31

Formal Charge

0

Complexity

781

Isotope Atom Count

0

Defined Atom Stereocenter Count

9

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
Pterocarpus santalinioides
Download SDF