TPCN05850

Name Speciosaperoxide
Molecular Formula C32H50O6
Molecular Weight 530.75
CAS Registry Number 1071926-23-2
SMILES CC(=O)OC1CCC2(C)C(CCC3(C)C2C(OO)C=C2C4C(C)C(C)CCC4(C(=O)O)CCC23C)C1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Chaenomeles speciosa Fruits 0.000080% J Asian Nat Prod Res. 2008 Mar-Apr;10(3-4):217-22. 10.1080/10286020701395370.
Properties
HBA 6 HBD 2
HeavyAtoms 38 AlogP 7.13
TPSA 93.06 RotatableBonds 3
FractionCSP3 0.88 Rings 5
AromaticRings 0 AliphaticRings 5