(5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-diene-7,17-diol

(5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-diene-7,17-diol
Compound Structure:
Synonyms: CHEBI:69395;Q27137734;(5S,7R,8R,9R,10S)-(-)-7,8-seco-7,8-oxacassa-13,15-diene-7,17-dio
Compound ID: NMPC-026
PubChem ID:

54672538
Molecular Formula: C20H32O3
Canonical SMILES: CC1(CCCC2(C1CC(OC3C2CCC(=C3CO)C=C)O)C)C
InChIKey: AXIGYXLFTGICHT-HBWRTXEVSA-N
About the compound:

Cassane diterpenoids are primarily known to be isolated from plants in the Fabaceae family, particularly from the genus Caesalpinia and related genera. They have been of interest due to their diverse structures and potential biological activities. Cassane-type diterpenoids and their derivatives have been subjects of interest in natural product research due to their potential bioactivities, including anti-inflammatory, anti-tumor, and neuroprotective effects.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

320.5 g/mol

XLogP3-AA

3.5

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

2

Exact Mass

320.23514488 g/mol

Monoisotopic Mass

320.23514488 g/mol

Topological Polar Surface Area

49.7Ų

Heavy Atom Count

23

Formal Charge

0

Complexity

507

Isotope Atom Count

0

Defined Atom Stereocenter Count

5

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: Acacia nilotica ,
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