| SpectraBase Spectrum ID |
D1sZeMrMfsP |
| Name |
(3.alpha.,5.beta.,7.alpha.,12.alpha.)-7-Hydroxy-3,12-bis(nitrooxy)cholan-24-oic acid |
| CAS Registry Number |
64219-17-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H38N2O9 |
| InChI |
InChI=1S/C24H38N2O9/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(24(16,17)3)35-26(32)33)23(2)9-8-15(34-25(30)31)10-14(23)11-19(22)27/h13-20,22,27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
| InChIKey |
RXXIRMFTBUJFDG-OELDTZBJSA-N |
| Molecular Weight |
498.573 g/mol |
| SMILES |
O[C@]1([C@]2([C@]3([C@@]([C@@]([C@@](CCC(=O)O)(C)[H])(CC3)[H])([C@](C[C@@]2([C@@]2([C@](C1)(C[C@@](CC2)(ON(=O)=O)[H])[H])C)[H])(ON(=O)=O)[H])C)[H])[H])[H] |
| SPLASH |
splash10-0v4i-0049200000-6b1c7c52fc0032e9bdb7 |
| Source of Spectrum |
J-44-4574-1 |
| Synonyms |
(3alpha,5beta,7alpha,12alpha)-7-hydroxy-3,12-bis(nitrooxy)cholan-24-oic acid |
| Wiley ID |
1398509 |
