| SpectraBase Compound ID | 8Aq7h1ALEnf |
|---|---|
| InChI | InChI=1S/C29H45F3O5/c1-18(25(33)10-13-29(30,31)32)21-6-7-22-20-15-26(37-17-35-5)24-14-19(36-16-34-4)8-11-28(24,3)23(20)9-12-27(21,22)2/h10,13,18-24,26H,6-9,11-12,14-17H2,1-5H3/b13-10+/t18-,19+,20?,21+,22?,23?,24-,26-,27+,28+/m0/s1 |
| InChIKey | KCJNWCCXYCDJOU-VGEGVSGUSA-N |
| Mol Weight | 530.7 g/mol |
| Molecular Formula | C29H45F3O5 |
| Exact Mass | 530.321909 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2hsDhFO8Z0b |
|---|---|
| Name | (23E)-3.alpha.,6.alpha.-Bis(methoxymethoxy)-25,26,27-trinor-24-(trifluoromethyl)-5.beta.-cholestan-22-one-23-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H45F3O5 |
| InChI | InChI=1S/C29H45F3O5/c1-18(25(33)10-13-29(30,31)32)21-6-7-22-20-15-26(37-17-35-5)24-14-19(36-16-34-4)8-11-28(24,3)23(20)9-12-27(21,22)2/h10,13,18-24,26H,6-9,11-12,14-17H2,1-5H3/b13-10+/t18-,19+,20?,21+,22?,23?,24-,26-,27+,28+/m0/s1 |
| InChIKey | KCJNWCCXYCDJOU-VGEGVSGUSA-N |
| Molecular Weight | 530.669 g/mol |
| SMILES | [C@@]12(C(C3C[C@](OCOC)([C@]4([C@@](C3CC2)(CC[C@@](OCOC)(C4)[H])C)[H])[H])CC[C@@]1([C@@](C(\C=C\C(F)(F)F)=O)(C)[H])[H])C |
| SPLASH | splash10-0002-9000500000-f6f2d358d2302fa06265 |
| Source of Spectrum | J-65-6235-10 |
| Wiley ID | 1533201 |