Cas no 420107-78-4 ((3α,12α)-7-[(aminocarbonyl)hydrazono]-3,12-dihydroxy-Cholan-24-oic acid)

(3α,12α)-7-[(aminocarbonyl)hydrazono]-3,12-dihydroxy-Cholan-24-oic acid structure
420107-78-4 structure
Product Name:(3α,12α)-7-[(aminocarbonyl)hydrazono]-3,12-dihydroxy-Cholan-24-oic acid
CAS No:420107-78-4
MF:C25H41N3O5
MW:463.610147237778
CID:6641655
Update Time:2024-01-29

(3α,12α)-7-[(aminocarbonyl)hydrazono]-3,12-dihydroxy-Cholan-24-oic acid Chemical and Physical Properties

Names and Identifiers

    • Cholan-24-oic acid, 7-[(aminocarbonyl)hydrazono]-3,12-dihydroxy-, (3α,12α)- (9CI)
    • (3α,12α)-7-[(aminocarbonyl)hydrazono]-3,12-dihydroxy-Cholan-24-oic acid
    • Inchi: 1S/C25H41N3O5/c1-13(4-7-21(31)32)16-5-6-17-22-18(12-20(30)25(16,17)3)24(2)9-8-15(29)10-14(24)11-19(22)27-28-23(26)33/h13-18,20,22,29-30H,4-12H2,1-3H3,(H,31,32)(H3,26,28,33)/b27-19-/t13-,14?,15-,16-,17+,18+,20+,22+,24+,25-/m1/s1
    • InChI Key: YTWMGYKDCHWTOJ-GNURNUFESA-N
    • SMILES: N(=C1/CC2C[C@H](O)CC[C@]2(C)[C@@]2([H])C[C@H](O)[C@@]3([C@@]([H])([C@H](C)CCC(=O)O)CC[C@@]3([H])[C@]/12[H])C)\NC(=O)N

Experimental Properties

  • Density: 1.44±0.1 g/cm3(Predicted)
  • pka: 4.76±0.10(Predicted)
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