TPCN02450

Name (3R,4aS,4bS,7S,8aR,10aR)-2-Ethenyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydro-3,7-dihydroxy-1,4b,8,8-tetramethyl-4(3H)-phenanthrenone
Molecular Formula C20H30O3
Molecular Weight 318.46
CAS Registry Number 1291096-13-3
SMILES C=CC1=C(C)C2CCC3C(C)(C)C(O)CCC3(C)C2C(=O)C1O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Acacia nilotica Barks 0.001200% J Ethnopharmacol 128, 555-560 (2010). 10.1016/j.jep.2010.01.057
Properties
HBA 3 HBD 2
HeavyAtoms 23 AlogP 3.26
TPSA 57.53 RotatableBonds 1
FractionCSP3 0.75 Rings 3
AromaticRings 0 AliphaticRings 3