TPCN02443

Name Excisanin B
Molecular Formula C22H32O6
Molecular Weight 392.49
CAS Registry Number 78536-36-4
SMILES C=C1C(=O)C23C(O)CC4C(C)(C)CCC(O)C4(C)C2CC(OC(C)=O)C1C3O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Isodon excisus Aerial parts 0.001267% J Nat Prod 67, 373-376 (2004). 10.1021/np030357r
Properties
HBA 6 HBD 3
HeavyAtoms 28 AlogP 1.61
TPSA 104.06 RotatableBonds 1
FractionCSP3 0.82 Rings 4
AromaticRings 0 AliphaticRings 4