TPCN02908

Name Scutehenanine D
Molecular Formula C33H35NO8
Molecular Weight 573.64
CAS Registry Number 1189052-21-8
SMILES CC1=CCCC2C1(C)C(OC(=O)c1cccnc1)C(OC(=O)c1ccccc1)C(C)(O)C2(C)C1CC2=C(O1)C(=O)OC2
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Scutellaria barbata Whole plants 0.000167% J Nat Prod 72, 1793-1797 (2009). 10.1021/np900362z
Properties
HBA 9 HBD 1
HeavyAtoms 42 AlogP 4.57
TPSA 121.25 RotatableBonds 5
FractionCSP3 0.45 Rings 6
AromaticRings 2 AliphaticRings 4