TPCN02986

Name Scutebarbatine H
Molecular Formula C26H31NO7
Molecular Weight 469.53
CAS Registry Number 1022089-83-3
SMILES CC1=CCCC2C1(C)C(OC(=O)c1cccnc1)C(O)C(C)(O)C2(C)C1CC2=C(O1)C(=O)OC2
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Scutellaria barbata Whole plants 0.000123% Chem Pharm Bull (Tokyo) 55, 1218-1221 (2007). 10.1248/cpb.55.1218
Properties
HBA 8 HBD 2
HeavyAtoms 34 AlogP 2.70
TPSA 115.18 RotatableBonds 3
FractionCSP3 0.58 Rings 5
AromaticRings 1 AliphaticRings 4