| SpectraBase Compound ID | D1AlTYaRR4U |
|---|---|
| InChI | InChI=1S/C29H47F3O6/c1-17(24(33)14-26(34)29(30,31)32)20-6-7-21-19-13-25(38-16-36-5)23-12-18(37-15-35-4)8-10-28(23,3)22(19)9-11-27(20,21)2/h17-23,25-26,34H,6-16H2,1-5H3/t17-,18+,19?,20+,21?,22?,23-,25-,26?,27+,28+/m0/s1 |
| InChIKey | ASOYBVPDTFUVLM-ZUDPNBBFSA-N |
| Mol Weight | 548.7 g/mol |
| Molecular Formula | C29H47F3O6 |
| Exact Mass | 548.332474 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3qbIV7zLYPr |
|---|---|
| Name | 3.alpha.,6.alpha.-Bis(methoxymethoxy)-26,27-dinor-24-(trifluoromethyl)-5.beta.-cholestan-22-one-23-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H47F3O6 |
| InChI | InChI=1S/C29H47F3O6/c1-17(24(33)14-26(34)29(30,31)32)20-6-7-21-19-13-25(38-16-36-5)23-12-18(37-15-35-4)8-10-28(23,3)22(19)9-11-27(20,21)2/h17-23,25-26,34H,6-16H2,1-5H3/t17-,18+,19?,20+,21?,22?,23-,25-,26?,27+,28+/m0/s1 |
| InChIKey | ASOYBVPDTFUVLM-ZUDPNBBFSA-N |
| Molecular Weight | 548.684 g/mol |
| SMILES | OC(C(F)(F)F)CC([C@]([C@@]1([C@@]2(C(C3C[C@](OCOC)([C@]4([C@@](C3CC2)(CC[C@@](OCOC)(C4)[H])C)[H])[H])CC1)C)[H])(C)[H])=O |
| SPLASH | splash10-0002-9000300000-874be6384da07da0589f |
| Source of Spectrum | J-65-6235-8 |
| Wiley ID | 1533202 |