| SpectraBase Spectrum ID |
AaELOoMYnBK |
| Name |
3-Oxacholestan-5.beta.-isocyanate |
| Alternate Name(s) |
3-Oxocholestan-5.beta.-isocyanate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H45NO2 |
| InChI |
InChI=1S/C28H45NO2/c1-19(2)7-6-8-20(3)23-9-10-24-22-12-16-28(29-18-30)17-21(31)11-15-27(28,5)25(22)13-14-26(23,24)4/h19-20,22-25H,6-17H2,1-5H3/t20-,22+,23-,24+,25+,26-,27-,28+/m1/s1 |
| InChIKey |
PRRJCGGZHZBZLC-HFONHLFMSA-N |
| Molecular Weight |
427.673 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)N=C=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-001i-0009200000-b24a03d3fa784a940813 |
| Source of Spectrum |
J-59-2771-25 |
| Wiley ID |
1380473 |
