TPCN04583

Name 2??,3??,19??-trihydroxy-urs-12-en-28-oic-acid;Tormentic acid
Molecular Formula C30H48O5
Molecular Weight 488.71
CAS Registry Number 13850-16-3
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Chaenomeles speciosa Fruits 0.000460% J Asian Nat Prod Res. 2008 Mar-Apr;10(3-4):217-22. 10.1080/10286020701395370.
Rosaceae Agrimonia pilosa Aerial parts 0.000223% Nat Prod Commun 10(12): 2041-2044. 10.1177/1934578X1501001207
Oleaceae Olea europaea Leaves 0.000100% Chem Pharm Bull (Tokyo). 2007 May;55(5):784-8. 10.1248/cpb.55.784.
Staphyleaceae Euscaphis japonica Stems 0.000075% J Nat Prod 73, 1655-1658 (2010) 10.1021/np1003593
Lamiaceae Teucrium viscidum Whole plants 0.000014% Molecules. 2013. 18, 1262-1269. 10.3390/molecules18011262.
Properties
HBA 5 HBD 4
HeavyAtoms 35 AlogP 5.18
TPSA 97.99 RotatableBonds 1
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5