| SpectraBase Spectrum ID |
9gfMV0WTgBX |
| Name |
3,4-Secocholestane-2-carbonitrile, 4-methyl-4-methylene-, (2R,5.beta.)- |
| CAS Registry Number |
73305-67-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H51N |
| InChI |
InChI=1S/C30H51N/c1-20(2)10-9-11-23(6)26-14-15-27-24-12-13-25(21(3)4)30(8,18-22(5)19-31)28(24)16-17-29(26,27)7/h20,22-28H,3,9-18H2,1-2,4-8H3/t22-,23-,24+,25-,26-,27+,28+,29-,30+/m1/s1 |
| InChIKey |
YFJQPWUMLGVOOB-HTWFFWOASA-N |
| Molecular Weight |
425.745 g/mol |
| SMILES |
[C@@]1([C@@]2([C@@]([C@@]3(CC[C@@]([C@]3(CC2)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@@]1(C(=C)C)[H])[H])(C[C@](C#N)(C)[H])C |
| SPLASH |
splash10-056u-9002300000-ecac3a9375f948cbf5ab |
| Source of Spectrum |
KC-1979-2925-0 |
| Synonyms |
(2R)-3-{(3R,3aR,5aS,6R,7R,9aS,9bS)-3-[(1R)-1,5-dimethylhexyl]-7-isopropenyl-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl}-2-methylpropanenitrile
2.alpha.,4-dimethyl-4-methylene-3,4-seco-5.alpha.-cholestane-3-nitrile |
| Wiley ID |
1379722 |
