| SpectraBase Spectrum ID |
3koQQNaPfZG |
| Name |
Methyl ester of (3.alpha.,5.beta.,7.alpha.,12.alpha.)-7,12-dihydroxy-3-(nitrooxy)cholan-24-oic acid |
| CAS Registry Number |
71837-73-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H41NO7 |
| InChI |
InChI=1S/C25H41NO7/c1-14(5-8-22(29)32-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(33-26(30)31)11-15(24)12-20(23)27/h14-21,23,27-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1 |
| InChIKey |
XYGLWTSULASMEL-SRNOMOOLSA-N |
| Molecular Weight |
467.603 g/mol |
| SMILES |
O[C@@]1([C@]2([C@]([C@@]3([C@@](C[C@]4([C@@]([C@]3(C1)[H])(CC[C@](C4)(ON(=O)=O)[H])C)[H])(O)[H])[H])(CC[C@@]2([C@@](CCC(=O)OC)(C)[H])[H])[H])C)[H] |
| SPLASH |
splash10-0uxr-0098100000-ef860a74124eb2a9db06 |
| Source of Spectrum |
J-44-4574-1 |
| Synonyms |
Methyl (3alpha,5beta,7alpha,12alpha)-7,12-dihydroxy-3-(nitrooxy)cholan-24-oate |
| Wiley ID |
1392179 |
