TPCN06368

Name ?jughopanes B
Molecular Formula C29H40O4
Molecular Weight 452.64
CAS Registry Number 2321347-21-9
SMILES CC1=C2CCC3(C)C(CC=C4C5C(C)C(C)CCC5(C(=O)O)CCC43C)C2(C)C=C(O)C1=O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Juglandaceae Juglans hopeiensis Fruits 0.000007% None 10.1080/14786419.2019.1622111
Properties
HBA 4 HBD 2
HeavyAtoms 33 AlogP 6.63
TPSA 74.60 RotatableBonds 1
FractionCSP3 0.72 Rings 5
AromaticRings 0 AliphaticRings 5