| SpectraBase Spectrum ID |
54745oDBKSc |
| Name |
5a,6a-epoxy Chloestanol |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
25539 |
| Lot Number |
0628475-15 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
1250-95-9 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.349780719 u |
| Formula |
C27H46O2 |
| InChI |
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1 |
| InChIKey |
PRYIJAGAEJZDBO-ZEQHCUNVSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
402.663 g/mol |
| Purity |
≥95% |
| Resolution |
4 |
| SMILES |
O[C@@]1(C[C@@]23O[C@]3(C[C@@]3([C@@]([C@]2(CC1)C)(CC[C@]1([C@]3(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])[H])[H])[H] |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
(3β,5α,6α)-5,6-epoxy-cholestan-3-ol
5α,6α-Epoxycholesterol
Cholesterol 5α,6α-epoxide
NSC 18176 |
| Technique |
ATR-Neat |
