| SpectraBase Spectrum ID |
7tY8VToiaYD |
| Name |
3.beta.-Acetoxy-5,6-seco-5-oxocholestane-6-nitrile |
| Alternate Name(s) |
(1S,4R)-4-{(1R,3aS,7aR)-4-(cyanomethyl)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-1H-inden-5-yl}-4-methyl-3-oxocyclohexyl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H47NO3 |
| InChI |
InChI=1S/C29H47NO3/c1-19(2)8-7-9-20(3)24-10-11-25-23(14-17-30)26(13-16-28(24,25)5)29(6)15-12-22(18-27(29)32)33-21(4)31/h19-20,22-26H,7-16,18H2,1-6H3/t20-,22+,23?,24-,25+,26?,28-,29-/m1/s1 |
| InChIKey |
QGKXPZZNUBNFDC-XMQHUBJLSA-N |
| Molecular Weight |
457.699 g/mol |
| SMILES |
[C@]12([C@](C(CC#N)C([C@@]3(C(C[C@](CC3)(OC(=O)C)[H])=O)C)CC1)(CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-03xr-0709100000-07957498120e92b9f626 |
| Source of Spectrum |
F-69-8442-29 |
| Wiley ID |
1595858 |
