TPCN02472

Name Pulcherralpin
Molecular Formula C30H40O7
Molecular Weight 512.64
CAS Registry Number 105389-29-5
SMILES COC(=O)CC1C(=O)CC2C(C1C)C(O)C(OC(=O)C=Cc1ccccc1)C1(O)C(C)(C)CCCC21C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Caesalpinia pulcherrima Stems 0.001016% J Nat Prod 49, 561-569 (1986). 10.1021/np50046a001
Properties
HBA 7 HBD 2
HeavyAtoms 37 AlogP 3.95
TPSA 110.13 RotatableBonds 5
FractionCSP3 0.63 Rings 4
AromaticRings 1 AliphaticRings 3