TPCN01894

Name 1??,2??,6??, 13-tetraacetoxy-9??-cinnamoyloxy-b-dihydroagarofuran
Molecular Formula C30H38O9
Molecular Weight 542.63
CAS Registry Number 862379-07-5
SMILES CC(=O)OC1CC(C)C23OC(C)(C)C(CC(OC(=O)C=Cc4ccccc4)C2(C)C1OC(C)=O)C3OC(C)=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Celastrus orbiculatus Fruits 0.000060% J Asian Nat Prod Res 8(8): 739-742.(2006) 10.1080/10286020412331286498
Properties
HBA 9 HBD 0
HeavyAtoms 39 AlogP 4.02
TPSA 114.43 RotatableBonds 6
FractionCSP3 0.60 Rings 4
AromaticRings 1 AliphaticRings 3