TPCN02840

Name Scutehenanine B
Molecular Formula C33H37NO8
Molecular Weight 575.66
CAS Registry Number 1312716-25-8
SMILES CC1=CCC(OC(=O)c2ccccc2)C2C1(C)C(OC(=O)c1cccnc1)C(O)C1(C)OC3(CCC21C)COC(=O)C3
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Scutellaria barbata Whole plants 0.000218% J Nat Prod 72, 1793-1797 (2009). 10.1021/np900362z
Properties
HBA 9 HBD 1
HeavyAtoms 42 AlogP 4.44
TPSA 121.25 RotatableBonds 4
FractionCSP3 0.52 Rings 6
AromaticRings 2 AliphaticRings 4