SpectraBase Spectrum ID |
JE39xk743Py |
Name |
16,16-D2-5a,14b-pregn-8-en-3b-ol-11-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H30D2O2 |
InChI |
InChI=1S/C21H32O2/c1-4-13-6-8-17-16-7-5-14-11-15(22)9-10-20(14,2)19(16)18(23)12-21(13,17)3/h13-15,17,22H,4-12H2,1-3H3/t13?,14-,15-,17+,20-,21+/m0/s1/i6D2 |
InChIKey |
HHYGUTBMQHNBKZ-XXCISIRHSA-N |
Molecular Weight |
318.497 g/mol |
SMILES |
O[C@]1(CC[C@@]2(C3=C([C@]4(CC([2D])([2D])C([C@]4(CC3=O)C)CC)[H])CC[C@]2(C1)[H])C)[H] |
SPLASH |
splash10-014i-4965000000-e9f2d4e0713c1f30d5ed |
Source of Spectrum |
SD-1992-0-0 |
Wiley ID |
1317319 |