| SpectraBase Spectrum ID |
5k083fFpEki |
| Name |
3-.alpha.,17.beta.-Dihydroxy-5-aza-A-nor-B-homoandrostan-6-one Benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H35NO4 |
| InChI |
InChI=1S/C26H35NO4/c1-25-14-12-20-18(8-11-22(28)27-23(29)13-15-26(20,27)2)19(25)9-10-21(25)31-24(30)16-17-6-4-3-5-7-17/h3-7,18-21,23,29H,8-16H2,1-2H3/t18?,19?,20?,21-,23+,25-,26+/m0/s1 |
| InChIKey |
VBUFYYQOJXISIK-PNBZQZPDSA-N |
| Molecular Weight |
425.569 g/mol |
| SMILES |
O[C@]1(N2[C@@](C3C(C4CC[C@@]([C@]4(CC3)C)(OC(=O)Cc3ccccc3)[H])CCC2=O)(CC1)C)[H] |
| SPLASH |
splash10-0006-0009000000-3cbf38e38898853b6df9 |
| Source of Spectrum |
J-57-4120-23 |
| Wiley ID |
1379694 |
