| SpectraBase Compound ID | C206oxUVNoT |
|---|---|
| InChI | InChI=1S/C38H64NO5/c1-25(11-10-22-43-34(40)32-24-35(2,3)39(41)36(32,4)5)29-15-16-30-28-14-13-26-23-27(44-33-12-8-9-21-42-33)17-19-37(26,6)31(28)18-20-38(29,30)7/h25-33H,8-24H2,1-7H3/t25-,26-,27-,28?,29-,30?,31?,32?,33?,37+,38-/m1/s1 |
| InChIKey | SXVKEFOIOXVJOS-ZMDFXQHRSA-N |
| Mol Weight | 615.9 g/mol |
| Molecular Formula | C38H65NO5 |
| Exact Mass | 615.486274 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ENlEQPqXzWj |
|---|---|
| Name | 3'-(3.alpha.-Tetrahydropyranyloxycholan-24-oate)-2',2',5',5'-tetramethylpyrrolidine-1'-oxyl |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H64NO5 |
| InChI | InChI=1S/C38H64NO5/c1-25(11-10-22-43-34(40)32-24-35(2,3)39(41)36(32,4)5)29-15-16-30-28-14-13-26-23-27(44-33-12-8-9-21-42-33)17-19-37(26,6)31(28)18-20-38(29,30)7/h25-33H,8-24H2,1-7H3/t25-,26-,27-,28?,29-,30?,31?,32?,33?,37+,38-/m1/s1 |
| InChIKey | SXVKEFOIOXVJOS-ZMDFXQHRSA-N |
| Molecular Weight | 615.940 g/mol |
| SMILES | ON1C(C(CC1(C)C)C(=O)OCCC[C@]([C@@]1([C@@]2(C(C3CC[C@]4([C@@](C3CC2)(CC[C@@](OC2OCCCC2)(C4)[H])C)[H])CC1)C)[H])(C)[H])(C)C |
| SPLASH | splash10-000i-9100121000-d1db8ac921a461bac25e |
| Source of Spectrum | F-48-9948-15 |
| Wiley ID | 1411227 |