| SpectraBase Compound ID | 4rkIlIMtaAu |
|---|---|
| InChI | InChI=1S/C27H45NO3/c1-14-9-25(31)26(28-13-14)16(3)18-5-6-19-20(15(18)2)11-22-21(19)12-24(30)23-10-17(29)7-8-27(22,23)4/h14-23,25-26,28-29,31H,5-13H2,1-4H3/t14-,15?,16-,17-,18?,19+,20?,21-,22-,23+,25+,26+,27+/m0/s1 |
| InChIKey | JUTQZBMKZTWAHJ-QHQSOYSZSA-N |
| Mol Weight | 431.7 g/mol |
| Molecular Formula | C27H45NO3 |
| Exact Mass | 431.339944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DJstlMiUWZb |
|---|---|
| Name | Dihydrostenanzine |
| Alternate Name(s) | 3.beta.,23.alpha.-Dihydroxy-5.alpha.-veratranin-6-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO3 |
| InChI | InChI=1S/C27H45NO3/c1-14-9-25(31)26(28-13-14)16(3)18-5-6-19-20(15(18)2)11-22-21(19)12-24(30)23-10-17(29)7-8-27(22,23)4/h14-23,25-26,28-29,31H,5-13H2,1-4H3/t14-,15?,16-,17-,18?,19+,20?,21-,22-,23+,25+,26+,27+/m0/s1 |
| InChIKey | JUTQZBMKZTWAHJ-QHQSOYSZSA-N |
| Molecular Weight | 431.661 g/mol |
| SMILES | N1C[C@](C[C@]([C@]1([C@](C1C(C2C[C@@]3([C@@]4([C@@](C(C[C@]3([C@@]2(CC1)[H])[H])=O)(C[C@](CC4)(O)[H])[H])C)[H])C)(C)[H])[H])(O)[H])(C)[H] |
| SPLASH | splash10-03di-1901200000-e2366948753c602ecb8f |
| Source of Spectrum | X4-18-316-0 |
| Wiley ID | 1585501 |