| SpectraBase Compound ID | KKfmO8F9aGI |
|---|---|
| InChI | InChI=1S/C25H40O2/c1-16(5-6-17(2)26)21-9-10-22-20-8-7-18-15-19(27)11-13-24(18,3)23(20)12-14-25(21,22)4/h7,16,19-23,27H,5-6,8-15H2,1-4H3/t16-,19-,20-,21+,22-,23-,24-,25+/m0/s1/i16D |
| InChIKey | BWZMDPHOOVIMHX-FLGZEZMZSA-N |
| Mol Weight | 373.6 g/mol |
| Molecular Formula | C25H392DO2 |
| Exact Mass | 373.309107 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6HxehqREKzz |
|---|---|
| Name | (20S)-3.beta.-Hydroxy-26,27-dinorcholest-5-en-24-one-20-D |
| CAS Registry Number | 70267-70-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H39DO2 |
| InChI | InChI=1S/C25H40O2/c1-16(5-6-17(2)26)21-9-10-22-20-8-7-18-15-19(27)11-13-24(18,3)23(20)12-14-25(21,22)4/h7,16,19-23,27H,5-6,8-15H2,1-4H3/t16-,19-,20-,21+,22-,23-,24-,25+/m0/s1/i16D |
| InChIKey | BWZMDPHOOVIMHX-FLGZEZMZSA-N |
| Molecular Weight | 373.599 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@](CCC(=O)C)(C)[2D])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-0006-6029000000-32d69a1efcfbc6768968 |
| Source of Spectrum | J-44-2455-0 |
| Wiley ID | 118683 |