| SpectraBase Compound ID | Kr6ZwEmgHKq |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-14-13-31-27(12-21(14)29)15(2)24-22(32-27)11-20-18-6-5-16-9-17(28)10-23(30)26(16,4)19(18)7-8-25(20,24)3/h5,14-15,17-24,28-30H,6-13H2,1-4H3/t14-,15+,17-,18-,19+,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | MHNJMWLWHYJLNF-CALIDFKJSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 96nd8tMZQM4 |
|---|---|
| Name | Cepagenin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-14-13-31-27(12-21(14)29)15(2)24-22(32-27)11-20-18-6-5-16-9-17(28)10-23(30)26(16,4)19(18)7-8-25(20,24)3/h5,14-15,17-24,28-30H,6-13H2,1-4H3/t14-,15+,17-,18-,19+,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | MHNJMWLWHYJLNF-CALIDFKJSA-N |
| Molecular Weight | 446.628 g/mol |
| SMILES | O[C@@]1(C[C@@](CC=2[C@]1([C@]1(CC[C@]3([C@@](C[C@@]4(O[C@]5(C[C@@]([C@@](CO5)(C)[H])(O)[H])[C@]([C@]34[H])(C)[H])[H])([C@@]1(CC2)[H])[H])C)[H])C)(O)[H])[H] |
| SPLASH | splash10-056r-0502900000-7fc4019c1e0fd7bb069c |
| Source of Spectrum | X4-23-705-0 |
| Synonyms | (1beta,3beta,24S,25R)-spirost-5-en-1,3,24-triol 24(S),25(R)-Spirost-5-ene-1.beta.,3.beta.,24-triol |
| Wiley ID | 1586100 |