| SpectraBase Spectrum ID |
3UpK2RW1hXR |
| Name |
(1R,2S.5R)-5-Metrhyl-2-(1-methyl-1-phenylethyl)cyclohexyl (R)-.alpha.-Hydroxy-.alpha.-(4-iodophenyl) benzeneacetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H33IO3 |
| InChI |
InChI=1S/C30H33IO3/c1-21-14-19-26(29(2,3)22-10-6-4-7-11-22)27(20-21)34-28(32)30(33,23-12-8-5-9-13-23)24-15-17-25(31)18-16-24/h4-13,15-18,21,26-27,33H,14,19-20H2,1-3H3/t21-,26-,27-,30-/m1/s1 |
| InChIKey |
FNIBUPVMACFYCU-LCTTZAHCSA-N |
| Molecular Weight |
568.495 g/mol |
| SMILES |
O[C@@](C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)(c1ccc(cc1)I)c1ccccc1 |
| SPLASH |
splash10-0aor-0009060000-8cec27c50c6106f24d42 |
| Source of Spectrum |
QC-4-2196-20 |
| Wiley ID |
883446 |
