| SpectraBase Compound ID | 1gSOIJGeAQO |
|---|---|
| InChI | InChI=1S/C31H48O6/c1-17-7-12-31(34-16-17)18(2)28-27(37-31)15-24-22-14-26(36-20(4)33)25-13-21(35-19(3)32)8-10-29(25,5)23(22)9-11-30(24,28)6/h17-18,21-28H,7-16H2,1-6H3/t17-,18+,21+,22-,23+,24+,25-,26+,27+,28+,29-,30+,31-/m1/s1 |
| InChIKey | QAJWJYRUXKIGQX-DJGPMWEPSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C31H48O6 |
| Exact Mass | 516.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | zsHMxYmJiP |
|---|---|
| Name | 3,6-O-DIACETYL-NEOCHLOROGENIN=(25S)-3-BETA,6-ALPHA-DIACETOXY-5-ALPHA-SPIROSTAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O6 |
| InChI | InChI=1S/C31H48O6/c1-17-7-12-31(34-16-17)18(2)28-27(37-31)15-24-22-14-26(36-20(4)33)25-13-21(35-19(3)32)8-10-29(25,5)23(22)9-11-30(24,28)6/h17-18,21-28H,7-16H2,1-6H3/t17-,18+,21+,22-,23+,24+,25-,26+,27+,28+,29-,30+,31-/m1/s1 |
| InChIKey | QAJWJYRUXKIGQX-DJGPMWEPSA-N |
| Literature Reference Author | A.K.CHAKRAVARTY,S.C.PAKRASHI,J.UZAWA |
| Literature Reference Citation | CAN.J.CHEM.,59,1328(1981) |
| Literature Reference DOI | 10.1139/v81-195 |
| Molecular Weight | 516.719 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW17050 |