| SpectraBase Spectrum ID |
AhUB4XV8D4h |
| Name |
(3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-Tris(nitrooxy)androstan-17-one |
| Alternate Name(s) |
(3alpha,5beta,7alpha,12alpha)-3,12-bis(nitrooxy)-17-oxoandrostan-7-yl nitrate |
| CAS Registry Number |
64934-54-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H27N3O10 |
| InChI |
InChI=1S/C19H27N3O10/c1-18-6-5-11(30-20(24)25)7-10(18)8-14(31-21(26)27)17-12-3-4-15(23)19(12,2)16(9-13(17)18)32-22(28)29/h10-14,16-17H,3-9H2,1-2H3/t10-,11+,12-,13-,14+,16-,17-,18-,19-/m0/s1 |
| InChIKey |
RLGLOVLCOCXNNZ-YEFXMOAASA-N |
| Molecular Weight |
457.436 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3([C@](ON(=O)=O)(C[C@]4([C@@]([C@]3(C[C@@]2(ON(=O)=O)[H])[H])(CC[C@@](ON(=O)=O)(C4)[H])C)[H])[H])[H])(CCC1=O)[H])C |
| SPLASH |
splash10-0fri-0094400000-5d4b8b34ea31acfb57c7 |
| Source of Spectrum |
J-44-4575-1 |
| Wiley ID |
1389592 |
