| SpectraBase Spectrum ID |
KJW76Z2VNan |
| Name |
(3.alpha.,5.beta.,7.alpha.,12.alpha.,17.alpha.)-Androstane-3,7,12,17-tetrol 17-acetate 3,7,12-trinitrate |
| Alternate Name(s) |
(3alpha,5beta,7alpha,12alpha,17alpha)-3,7,12-tris(nitrooxy)androstan-17-yl acetate |
| CAS Registry Number |
71837-74-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31N3O11 |
| InChI |
InChI=1S/C21H31N3O11/c1-11(25)32-17-5-4-14-19-15(10-18(21(14,17)3)35-24(30)31)20(2)7-6-13(33-22(26)27)8-12(20)9-16(19)34-23(28)29/h12-19H,4-10H2,1-3H3/t12-,13+,14-,15-,16+,17+,18-,19-,20-,21-/m0/s1 |
| InChIKey |
WQCBVJYZDMJZHB-IMPGWJCOSA-N |
| Molecular Weight |
501.489 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])(CC[C@]1(OC(=O)C)[H])[H])C |
| SPLASH |
splash10-004i-0090100000-5b359a7ef0ab0b255055 |
| Source of Spectrum |
J-44-4574-1 |
| Wiley ID |
1399031 |
