| SpectraBase Compound ID | 3jXkgUCCGP0 |
|---|---|
| InChI | InChI=1S/C31H52O5/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-28(36-22(5)33)31(34)18-23(35-21(4)32)13-16-30(31,7)27(24)14-15-29(25,26)6/h19-20,23-28,34H,8-18H2,1-7H3/t20-,23+,24+,25-,26+,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | FSOSLUNLZBKXMA-ZJBXHLDWSA-N |
| Mol Weight | 504.8 g/mol |
| Molecular Formula | C31H52O5 |
| Exact Mass | 504.381475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KBCL8SSEt2i |
|---|---|
| Name | 5-ALPHA-CHOLESTAN-3-BETA-5,6-BETA-TRIOL-3,6-DIACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H52O5 |
| InChI | InChI=1S/C31H52O5/c1-19(2)9-8-10-20(3)25-11-12-26-24-17-28(36-22(5)33)31(34)18-23(35-21(4)32)13-16-30(31,7)27(24)14-15-29(25,26)6/h19-20,23-28,34H,8-18H2,1-7H3/t20-,23+,24+,25-,26+,27+,28-,29-,30-,31+/m1/s1 |
| InChIKey | FSOSLUNLZBKXMA-ZJBXHLDWSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 504.751 g/mol |
| Solvent | CHCl3 |
| Source File Reference | UNIW1900 |