TPCN03969

Name 2alpha-,3beta,-,19alpha-trihydroxy-urs-12-ene-24,28-dioic acid
Molecular Formula C30H46O7
Molecular Weight 518.69
CAS Registry Number 53527-49-4
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Apocynaceae Stelmatocrypton khasianum Stems 0.000211% J Asian Nat Prod Res 2, 81-86 (2000). 10.1080/10286020008039896
Properties
HBA 7 HBD 5
HeavyAtoms 37 AlogP 4.24
TPSA 135.29 RotatableBonds 2
FractionCSP3 0.87 Rings 5
AromaticRings 0 AliphaticRings 5