| SpectraBase Compound ID | 2kXv9eRycwG |
|---|---|
| InChI | InChI=1S/C30H50O5/c1-17(2)18(3)7-8-19(4)24-11-12-25-23-10-9-21-13-22(32)14-27(34)29(21,6)28(23)26(33)15-30(24,25)16-35-20(5)31/h17,19,21-28,32-34H,3,7-16H2,1-2,4-6H3/t19-,21+,22-,23+,24-,25+,26-,27+,28-,29-,30+/m1/s1 |
| InChIKey | PIAOUVSQYHJGPP-OWMHPOIBSA-N |
| Mol Weight | 490.7 g/mol |
| Molecular Formula | C30H50O5 |
| Exact Mass | 490.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | wJZzDqcIj1 |
|---|---|
| Name | 24-Methylene-5.alpha.-cholestane-1.alpha.,3.beta.,11.alpha.,18-tetrol 18-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 490.365824705 u |
| Formula | C30H50O5 |
| InChI | InChI=1S/C30H50O5/c1-17(2)18(3)7-8-19(4)24-11-12-25-23-10-9-21-13-22(32)14-27(34)29(21,6)28(23)26(33)15-30(24,25)16-35-20(5)31/h17,19,21-28,32-34H,3,7-16H2,1-2,4-6H3/t19-,21+,22-,23+,24-,25+,26-,27+,28-,29-,30+/m1/s1 |
| InChIKey | PIAOUVSQYHJGPP-OWMHPOIBSA-N |
| Molecular Weight | 490.725 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3([C@@](C2)(O)[H])[H])([C@](C[C@](O)(C4)[H])(O)[H])C)[H])[H])(CC[C@@]1([C@@](CCC(=C)C(C)C)(C)[H])[H])[H])COC(=O)C |