| SpectraBase Spectrum ID |
BNeE1HDiKtg |
| Name |
(17S)-3,17-Dihydroxy-17-methyl-16,17-seco-estra-1,3,5(10)-triene-16-nitrile |
| Alternate Name(s) |
{(2S,4aS,10aR)-7-hydroxy-2-[(1S)-1-hydroxyethyl]-2-methyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenyl}acetonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H25NO2 |
| InChI |
InChI=1S/C19H25NO2/c1-12(21)19(2)9-7-16-15-6-4-14(22)11-13(15)3-5-17(16)18(19)8-10-20/h4,6,11-12,16-18,21-22H,3,5,7-9H2,1-2H3/t12-,16+,17+,18?,19+/m0/s1 |
| InChIKey |
HXRQZVPOBHIXMZ-PVASBAJVSA-N |
| Molecular Weight |
299.414 g/mol |
| SMILES |
Oc1ccc2c(CC[C@]3(C([C@@]([C@@](O)(C)[H])(CC[C@]23[H])C)CC#N)[H])c1 |
| SPLASH |
splash10-0006-9030000000-3551cd3bd3195f801b63 |
| Source of Spectrum |
Y2-70-66-4 |
| Wiley ID |
1587464 |
