| SpectraBase Compound ID | 50JMZ2dU7GP |
|---|---|
| InChI | InChI=1S/C29H46O4/c1-18(17-33-20(3)30)7-6-8-19(2)23-9-10-24-27-25(12-14-29(23,24)5)28(4)13-11-22(31)15-21(28)16-26(27)32/h15,18-19,23-27,32H,6-14,16-17H2,1-5H3/t18-,19-,23-,24+,25+,26-,27+,28+,29-/m1/s1 |
| InChIKey | QXCZGJNBUGCZBF-ZNMXHXGVSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C29H46O4 |
| Exact Mass | 458.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HLrL7FPzuRs |
|---|---|
| Name | (25R)-7.alpha.,-26-Dihydroxycholest-4-en-3-one 26-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.339609957 u |
| Formula | C29H46O4 |
| InChI | InChI=1S/C29H46O4/c1-18(17-33-20(3)30)7-6-8-19(2)23-9-10-24-27-25(12-14-29(23,24)5)28(4)13-11-22(31)15-21(28)16-26(27)32/h15,18-19,23-27,32H,6-14,16-17H2,1-5H3/t18-,19-,23-,24+,25+,26-,27+,28+,29-/m1/s1 |
| InChIKey | QXCZGJNBUGCZBF-ZNMXHXGVSA-N |
| Molecular Weight | 458.683 g/mol |
| SMILES | [C@@]12([C@]([C@@]3([C@@](CC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)(O)[H])[H])(CC[C@@]1([C@@](CCC[C@](COC(=O)C)(C)[H])(C)[H])[H])[H])C |