| SpectraBase Compound ID | 1ZBd0BYhmPG |
|---|---|
| InChI | InChI=1S/C35H60O6/c1-8-10-30(37)40-24-16-18-33(5)23(20-24)13-14-25-26(33)17-19-34(6)27(25)21-28(41-31(38)11-9-2)32(34)35(7,39)29(36)15-12-22(3)4/h22-29,32,36,39H,8-21H2,1-7H3/t23?,24-,25+,26-,27-,28-,29+,32-,33-,34-,35-/m0/s1 |
| InChIKey | FLXFWLZBHOFCFB-YBARKUSOSA-N |
| Mol Weight | 576.9 g/mol |
| Molecular Formula | C35H60O6 |
| Exact Mass | 576.43899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F1CHIfuW7RI |
|---|---|
| Name | (20S,22S)-3-BETA,16-BETA-DIBUTYRYLOXYCHOLESTANE-20,22-DIOL |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H60O6 |
| InChI | InChI=1S/C35H60O6/c1-8-10-30(37)40-24-16-18-33(5)23(20-24)13-14-25-26(33)17-19-34(6)27(25)21-28(41-31(38)11-9-2)32(34)35(7,39)29(36)15-12-22(3)4/h22-29,32,36,39H,8-21H2,1-7H3/t23?,24-,25+,26-,27-,28-,29+,32-,33-,34-,35-/m0/s1 |
| InChIKey | FLXFWLZBHOFCFB-YBARKUSOSA-N |
| Literature Reference Author | J.L.GINER,J.A.FARALDOS |
| Literature Reference Citation | J.ORG.CHEM.,67,2717(2002) |
| Literature Reference DOI | 10.1021/jo011111z |
| Molecular Weight | 576.858 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24019 |