TPCN02807

Name Huratoxin
Molecular Formula C34H48O8
Molecular Weight 584.75
CAS Registry Number 33465-16-6
SMILES C=C(C)C12CC(C)C34OC(C=CC=CCCCCCCCCC)(OC1C3C1OC1(CO)C(O)C1(O)C(=O)C(C)=CC14)O2
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Thymelaeaceae Pimelea elongata Leaves 0.000250% J Nat Prod 73, 1907-1913 (2010). 10.1021/np1005746
Properties
HBA 8 HBD 3
HeavyAtoms 42 AlogP 4.43
TPSA 117.98 RotatableBonds 12
FractionCSP3 0.74 Rings 6
AromaticRings 0 AliphaticRings 6