TPCN03824

Name 2'-O-acetyl-27-deoxyactein
Molecular Formula C39H58O12
Molecular Weight 718.88
CAS Registry Number 345968-83-4
SMILES CC(=O)OC1C(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OC6CC3(C)C5CCC4C2(C)C)OC(O)C2(C)OC72)OCC(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Sapotaceae Madhuca longifolia Seeds 0.000545% J Nat Prod, 2000, 63, 1679-1681. 10.1021/np000351r
Properties
HBA 12 HBD 3
HeavyAtoms 51 AlogP 3.60
TPSA 162.74 RotatableBonds 4
FractionCSP3 0.95 Rings 9
AromaticRings 0 AliphaticRings 9