TPCN04139

Name 2??,3??-dihydroxy-23-norolea-4(24),12-dien-28-oic acid
Molecular Formula C29H44O4
Molecular Weight 456.67
CAS Registry Number 189116-23-2
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
Theaceae Camellia oleifera Roots 0.000039% J Asian Nat Prod Res, 2015, 17, 800-807. 10.1080/10286020.2015.1004630
Properties
HBA 4 HBD 3
HeavyAtoms 33 AlogP 5.73
TPSA 77.76 RotatableBonds 1
FractionCSP3 0.83 Rings 5
AromaticRings 0 AliphaticRings 5