TPCN02956

Name Pimelotide A
Molecular Formula C30H42O9
Molecular Weight 546.66
CAS Registry Number 1202753-29-4
SMILES C=C(C)C12CC(C)C34OC5(CCCCCCCC(C)C6C3C3(OC6(C)OC3=O)C(O)C3(CO)OC3C4C1O5)O2
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Thymelaeaceae Pimelea elongata Seeds 0.000140% J Nat Prod 72, 2081-2083 (2009). 10.1021/np900573k
Thymelaeaceae Pimelea elongata Leaves 0.000140% J Nat Prod 73, 1907-1913 (2010). 10.1021/np1005746
Properties
HBA 9 HBD 2
HeavyAtoms 39 AlogP 2.95
TPSA 116.21 RotatableBonds 2
FractionCSP3 0.90 Rings 8
AromaticRings 0 AliphaticRings 8