| SpectraBase Compound ID | BDoTkgxM2gt |
|---|---|
| InChI | InChI=1S/C29H42O6/c1-15-6-9-29(33-14-15)16(2)26-23(35-29)12-21-25-20(13-24(32)28(21,26)5)27(4)8-7-19(34-17(3)30)10-18(27)11-22(25)31/h15-16,18-21,23,25-26H,6-14H2,1-5H3/t15-,16+,18-,19+,20+,21+,23+,25-,26+,27+,28-,29+/m1/s1 |
| InChIKey | SXNVXLJDBCFOJQ-TWFWCRNISA-N |
| Mol Weight | 486.6 g/mol |
| Molecular Formula | C29H42O6 |
| Exact Mass | 486.298139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3HC2Qvu69NR |
|---|---|
| Name | (25R)-3-BETA-ACETOXY-5-ALPHA-SPIROSTANE-7,12-DIONE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O6 |
| InChI | InChI=1S/C29H42O6/c1-15-6-9-29(33-14-15)16(2)26-23(35-29)12-21-25-20(13-24(32)28(21,26)5)27(4)8-7-19(34-17(3)30)10-18(27)11-22(25)31/h15-16,18-21,23,25-26H,6-14H2,1-5H3/t15-,16+,18-,19+,20+,21+,23+,25-,26+,27+,28-,29+/m1/s1 |
| InChIKey | SXNVXLJDBCFOJQ-TWFWCRNISA-N |
| Literature Reference Author | G.BLUNDEN,A.V.PATEL,T.A.CRABB |
| Literature Reference Citation | PHYTOCHEM.,29,1771(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85013-6 |
| Molecular Weight | 486.649 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU32158 |