SpectraBase Spectrum ID |
5Ij6NxopZK0 |
Name |
Pregnan-3-one, 20-methyl-, (5.beta.)- |
CAS Registry Number |
72654-93-4 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H36O |
InChI |
InChI=1S/C22H36O/c1-14(2)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,3)20(17)10-12-22(18,19)4/h14-15,17-20H,5-13H2,1-4H3/t15-,17-,18+,19-,20-,21-,22+/m0/s1 |
InChIKey |
BITOYSGQNJZELQ-CCIBANHTSA-N |
Molecular Weight |
316.529 g/mol |
SMILES |
[C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])[H])(CC[C@@]1(C(C)C)[H])[H])C |
SPLASH |
splash10-00lr-0096000000-a81a946c7034b4de0d7d |
Source of Spectrum |
F-35-788-0 |
Synonyms |
(1S,2S,7S,10R,11S,14R,15R)-2,15-dimethyl-14-(propan-2-yl)tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-one
20-Methyl-5.alpha.-pregnan-3-one |
Wiley ID |
1317394 |