| SpectraBase Compound ID | 4BibLceES2a |
|---|---|
| InChI | InChI=1S/C32H48O5/c1-19(9-8-10-20(2)27(35)36)22-11-16-32-18-31(22,32)15-12-23-29(6)14-13-25(34)28(4,5)24(29)17-26(30(23,32)7)37-21(3)33/h10,19,22-24,26H,8-9,11-18H2,1-7H3,(H,35,36)/b20-10-/t19-,22-,23?,24-,26+,29+,30-,31+,32+/m0/s1 |
| InChIKey | CMZBZSYVSSTDFZ-QKJYHJDHSA-N |
| Mol Weight | 512.7 g/mol |
| Molecular Formula | C32H48O5 |
| Exact Mass | 512.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADrbz0TGZc |
|---|---|
| Name | DYSOXYLIC-ACID-B;(20S)-7-ALPHA-ACETOXY-3-OXO-4,4,8-BETA-TRIMETHYL-14,18-CYCLO-5-ALPHA,13-ALPHA,14-ALPHA,17-ALPHA-CHOLEST-24Z-EN-26-OIC-ACID |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H48O5 |
| InChI | InChI=1S/C32H48O5/c1-19(9-8-10-20(2)27(35)36)22-11-16-32-18-31(22,32)15-12-23-29(6)14-13-25(34)28(4,5)24(29)17-26(30(23,32)7)37-21(3)33/h10,19,22-24,26H,8-9,11-18H2,1-7H3,(H,35,36)/b20-10-/t19-,22-,23?,24-,26+,29+,30-,31+,32+/m0/s1 |
| InChIKey | CMZBZSYVSSTDFZ-QKJYHJDHSA-N |
| Literature Reference Author | D.A.MULHOLLAND,J.J.NAIR |
| Literature Reference Citation | PHYTOCHEM.,37,1409(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90421-7 |
| Molecular Weight | 512.730 g/mol |
| Solvent | CD2Cl2:ACETONE-D6 |
| Source File Reference | UWMS23598 |