TPCN02014

Name Myrianthic acid
Molecular Formula C30H48O6
Molecular Weight 504.71
CAS Registry Number 89786-84-5
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1(C)O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Bignoniaceae Incarvillea delavayi Whole plants 0.000016% Nat Prod Res 24(10): 915-919(2010) 10.1080/14786410802421026
Properties
HBA 6 HBD 5
HeavyAtoms 36 AlogP 4.15
TPSA 118.22 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5