TPCN04634

Name 3??-E-Coumaroyltaraxerol
Molecular Formula C39H56O3
Molecular Weight 572.87
CAS Registry Number 696620-37-8
SMILES CC1(C)CCC2(C)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(OC(=O)C=Cc5ccc(O)cc5)CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rhizophoraceae Bruguiera cylindrica Fruits 0.000167% J Nat Prod 67(5): 886-888. 10.1021/np0305122
Properties
HBA 3 HBD 1
HeavyAtoms 42 AlogP 10.14
TPSA 46.53 RotatableBonds 3
FractionCSP3 0.72 Rings 6
AromaticRings 1 AliphaticRings 5