TPCN06188

Name 16??-hydroxyprotobassic acid
Molecular Formula C30H48O7
Molecular Weight 520.71
CAS Registry Number 144223-48-3
SMILES CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Mussaenda macrophylla Aerial parts 0.000313% J Nat Prod . 1999 Oct;62(10):1379-84 10.1021/np9901579
Properties
HBA 7 HBD 6
HeavyAtoms 37 AlogP 3.12
TPSA 138.45 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5