Chemical Component Summary

Name(3ALPHA,5ALPHA,7ALPHA,8ALPHA,12ALPHA,14BETA,17ALPHA)-3,7,12-TRIHYDROXYCHOL-1-EN-24-AMIDE
Identifiers(4R)-4-[(3S,5S,7R,8R,9S,10R,12S,13R,14S)-3,7,12-trihydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]pentanamide
FormulaC24 H39 N O4
Molecular Weight405.571
TypeNON-POLYMER
Isomeric SMILESC[C@H](CCC(=O)N)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(C=C[C@H](C4)O)C)O)O)C
InChIInChI=1S/C24H39NO4/c1-13(4-7-21(25)29)16-5-6-17-22-18(12-20(28)24(16,17)3)23(2)9-8-15(26)10-14(23)11-19(22)27/h8-9,13-20,22,26-28H,4-7,10-12H2,1-3H3,(H2,25,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKeyFMNKZHQYXMWDCG-OELDTZBJSA-N

Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count10
Bond Count71
Aromatic Bond Count0