TPCN04513

Name Triterpenoid (1);2??,3??-dihydroxy-24-nor-4(23),12-oleanadien28-oic acid
Molecular Formula C29H44O4
Molecular Weight 456.67
CAS Registry Number 473432-98-3
SMILES C=C1C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Salvia carduacea Leaves 0.003091% J Nat Prod 65, 1513-1515 (2002). 10.1021/np020178u
Eucommiaceae Eucommia ulmoides Leaves 0.000400% Molecules 17(12): 13960-13968. 10.3390/molecules171213960
Properties
HBA 4 HBD 3
HeavyAtoms 33 AlogP 5.73
TPSA 77.76 RotatableBonds 1
FractionCSP3 0.83 Rings 5
AromaticRings 0 AliphaticRings 5