| SpectraBase Compound ID | 8twR4SFbY60 |
|---|---|
| InChI | InChI=1S/C27H40O9/c1-11-5-8-26(35-10-11)12(2)17-15(36-26)9-14-16-13(6-7-24(14,17)3)25(4)21(31)19(29)20(30)23(33)27(25,34)22(32)18(16)28/h12-21,23,28-31,33-34H,1,5-10H2,2-4H3/t12-,13-,14-,15-,16+,17-,18-,19+,20-,21+,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | PCRIYRYJISADPS-LEUCSKABSA-N |
| Mol Weight | 508.6 g/mol |
| Molecular Formula | C27H40O9 |
| Exact Mass | 508.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EsQCdeF57g4 |
|---|---|
| Name | 1-BETA,2-BETA,3-BETA,4-BETA,5-BETA,7-ALPHA-HEXAHYDROXY-SPIROSTAN-25(27)-EN-6-ONE |
| Compound Number | 56 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O9 |
| InChI | InChI=1S/C27H40O9/c1-11-5-8-26(35-10-11)12(2)17-15(36-26)9-14-16-13(6-7-24(14,17)3)25(4)21(31)19(29)20(30)23(33)27(25,34)22(32)18(16)28/h12-21,23,28-31,33-34H,1,5-10H2,2-4H3/t12-,13-,14-,15-,16+,17-,18-,19+,20-,21+,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | PCRIYRYJISADPS-LEUCSKABSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 508.609 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22144 |