| SpectraBase Compound ID | F98enmynOnc |
|---|---|
| InChI | InChI=1S/C30H48O6/c1-18(8-7-15-34-19(2)31)24-9-10-25-28-26(12-14-30(24,25)6)29(5)13-11-23(35-20(3)32)16-22(29)17-27(28)36-21(4)33/h18,22-28H,7-17H2,1-6H3/t18-,22+,23-,24-,25+,26+,27-,28+,29+,30-/m1/s1 |
| InChIKey | GPNLXXIMYQFYHO-PQZJHEFQSA-N |
| Mol Weight | 504.7 g/mol |
| Molecular Formula | C30H48O6 |
| Exact Mass | 504.345089 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I6a5FXinM7U |
|---|---|
| Name | 3.alpha.,7.alpha.,24-tris(Acetoxy)-5.beta.-cholane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O6 |
| InChI | InChI=1S/C30H48O6/c1-18(8-7-15-34-19(2)31)24-9-10-25-28-26(12-14-30(24,25)6)29(5)13-11-23(35-20(3)32)16-22(29)17-27(28)36-21(4)33/h18,22-28H,7-17H2,1-6H3/t18-,22+,23-,24-,25+,26+,27-,28+,29+,30-/m1/s1 |
| InChIKey | GPNLXXIMYQFYHO-PQZJHEFQSA-N |
| Molecular Weight | 504.708 g/mol |
| SMILES | [C@@]12([C@]([C@@]3([C@@](C[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])(OC(=O)C)[H])[H])(CC[C@@]1([C@@](CCCOC(=O)C)(C)[H])[H])[H])C |
| SPLASH | splash10-001i-0009000000-e33b265883c32c18389f |
| Source of Spectrum | C-121-6650-17 |
| Wiley ID | 1700243 |