TPCN02900

Name Triptinin B
Molecular Formula C20H26O3
Molecular Weight 314.43
CAS Registry Number 189389-05-7
SMILES CC1=C(C(=O)O)CCC2(C)c3ccc(C(C)C)c(O)c3CCC12
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Tripterygium regelii Roots 0.000172% Nat Prod Res 32, 2418-2423 (2018). 10.1080/14786419.2017.1416379
Properties
HBA 3 HBD 2
HeavyAtoms 23 AlogP 4.53
TPSA 57.53 RotatableBonds 2
FractionCSP3 0.55 Rings 3
AromaticRings 1 AliphaticRings 2