| SpectraBase Compound ID | LjPGNm88yjz |
|---|---|
| InChI | InChI=1S/C40H66O8/c1-24(2)11-10-12-25(3)33-15-16-34-32-14-13-31-21-30(17-19-39(31,8)35(32)18-20-40(33,34)9)22-36(46-27(5)42)38(48-29(7)44)37(47-28(6)43)23-45-26(4)41/h24-25,30-38H,10-23H2,1-9H3/t25-,30+,31+,32+,33-,34+,35+,36-,37+,38-,39+,40-/m1/s1 |
| InChIKey | XBPQQYOHZLYSKP-KMHJMZKFSA-N |
| Mol Weight | 675.0 g/mol |
| Molecular Formula | C40H66O8 |
| Exact Mass | 674.475769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 286q0DOmqJc |
|---|---|
| Name | 3-(2R,3R,4S,5-Tetraacetoxypentyl)cholestane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 674.475769077 u |
| Formula | C40H66O8 |
| InChI | InChI=1S/C40H66O8/c1-24(2)11-10-12-25(3)33-15-16-34-32-14-13-31-21-30(17-19-39(31,8)35(32)18-20-40(33,34)9)22-36(46-27(5)42)38(48-29(7)44)37(47-28(6)43)23-45-26(4)41/h24-25,30-38H,10-23H2,1-9H3/t25-,30+,31+,32+,33-,34+,35+,36-,37+,38-,39+,40-/m1/s1 |
| InChIKey | XBPQQYOHZLYSKP-KMHJMZKFSA-N |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](C[C@]([C@]([C@@](OC(=O)C)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(C4)[H])C)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |