Summary
Molecular formula: C34H50O7
SMILES: CC(=O)O[C@H]1C[C@@H]([C@@]2([C@]1(C)C1=CCC3[C@](C1=CC2)(C)CC[C@H](C3(C)C)OC(=O)C)C)C([C@@H](C/C=C(/C(=O)O)C)O)CInChI: InChI=1S/C34H50O7/c1-19(30(38)39)10-12-26(37)20(2)25-18-29(41-22(4)36)34(9)24-11-13-27-31(5,6)28(40-21(3)35)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+/t20?,25-,26-,27?,28-,29+,32-,33-,34-/m1/s1InChIKey: XITBGHDSLKRVMR-GJGAYOQOSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:C1=C2C(=CCC3CCCCC23)C2CCCC2C1
Scaffold Graph/Node level:C1CCC2C(C1)CCC1C3CCCC3CCC21
Scaffold Graph level:C1CCC2C(C1)CCC1C3CCCC3CCC21
Chemical classification
Kingdom: Organic compounds
Super class: Lipids and lipid-like moleculesClass: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names:3a,15a -diacetoxy-22a -hydroxylanosta-7,9(11),24-trien-26-oic acid, 3a,15a-diacetoxy-22a-hydroxylanosta-7,9(11),24- trien-26-oic acid
External chemical identifiers:CID_139583632
Chemical structure download