TPCN02541

Name Isopropylidenkirenol
Molecular Formula C23H38O4
Molecular Weight 378.55
CAS Registry Number 89354-33-6
SMILES CC1(C)OCC(C2(C)C=C3CCC4C(C)(CO)CC(O)CC4(C)C3CC2)O1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Siegesbeckia orientalis Aerial parts 0.000800% J Nat Prod 67, 1517-1521 (2004). 10.1021/np0400407
Properties
HBA 4 HBD 2
HeavyAtoms 27 AlogP 4.05
TPSA 58.92 RotatableBonds 2
FractionCSP3 0.91 Rings 4
AromaticRings 0 AliphaticRings 4