| SpectraBase Compound ID | 5nMJYi4J77Q |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-15-24-23(32-27(15)9-4-16(13-28)14-31-27)12-20-18-11-22(30)21-10-17(29)5-7-25(21,2)19(18)6-8-26(20,24)3/h15-21,23-24,28-29H,4-14H2,1-3H3/t15-,16+,17-,18+,19-,20-,21+,23-,24-,25+,26-,27-/m0/s1 |
| InChIKey | DMKUFWSRDJKBMB-QRDOZSMISA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Mn4FxEmMsX |
|---|---|
| Name | 3-BETA,27-DIHYDROXY-(25S)-5-ALPHA-SPIROSTAN-6-ONE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-15-24-23(32-27(15)9-4-16(13-28)14-31-27)12-20-18-11-22(30)21-10-17(29)5-7-25(21,2)19(18)6-8-26(20,24)3/h15-21,23-24,28-29H,4-14H2,1-3H3/t15-,16+,17-,18+,19-,20-,21+,23-,24-,25+,26-,27-/m0/s1 |
| InChIKey | DMKUFWSRDJKBMB-QRDOZSMISA-N |
| Literature Reference Author | S.KUBO,Y.MIMAKI,Y.SASHIDA,T.NIKAIDO,T.OHMOTO |
| Literature Reference Citation | PHYTOCHEM.,31,2445(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83296-B |
| Molecular Weight | 446.627 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU28787 |