| SpectraBase Compound ID | 9HT7ggSU5Fh |
|---|---|
| InChI | InChI=1S/C26H44O3/c1-17(9-8-14-26(5,6)29)25-18(2)12-13-21(20(25)4)10-7-11-22-15-23(27)16-24(28)19(22)3/h7,10-11,17-18,20-21,23-25,27-29H,3,8-9,12-16H2,1-2,4-6H3/b10-7+,22-11-/t17-,18?,20?,21?,23+,24-,25-/m0/s1 |
| InChIKey | ACNVAPLPFHAUAT-QCXTXDFNSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C26H44O3 |
| Exact Mass | 404.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BuiMLOJUtuS |
|---|---|
| Name | 20(S)-methyl-1a,25-dihydroxy-des-C,homo-D-vitamin D3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H44O3 |
| InChI | InChI=1S/C26H44O3/c1-17(9-8-14-26(5,6)29)25-18(2)12-13-21(20(25)4)10-7-11-22-15-23(27)16-24(28)19(22)3/h7,10-11,17-18,20-21,23-25,27-29H,3,8-9,12-16H2,1-2,4-6H3/b10-7+,22-11-/t17-,18?,20?,21?,23+,24-,25-/m0/s1 |
| InChIKey | ACNVAPLPFHAUAT-QCXTXDFNSA-N |
| Molecular Weight | 404.635 g/mol |
| SMILES | O[C@]1(C[C@@](C\C(C1=C)=C/C=C/C1C([C@@]([C@](CCCC(O)(C)C)(C)[H])(C(CC1)C)[H])C)(O)[H])[H] |
| SPLASH | splash10-0a6u-9500000000-9d52c78f83c1a491efc2 |
| Source of Spectrum | U1-2009-1735-6b |
| Wiley ID | 1662708 |