| SpectraBase Compound ID | I7ewJrMZFly |
|---|---|
| InChI | InChI=1S/C32H50O5/c1-19(2)10-9-11-21(28(35)36)27-24(34)18-32(8)23-12-13-25-29(4,5)26(37-20(3)33)15-16-30(25,6)22(23)14-17-31(27,32)7/h10,21,24-27,34H,9,11-18H2,1-8H3,(H,35,36)/t21-,24-,25+,26+,27+,30-,31-,32+/m1/s1 |
| InChIKey | SRDNLMOBFKJOSD-KOCSMGCBSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C32H50O5 |
| Exact Mass | 514.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kek24uwuSVL |
|---|---|
| Name | 3-ACETYL-16-ALPHA-HYDROXY-TRAMETENOLIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O5 |
| InChI | InChI=1S/C32H50O5/c1-19(2)10-9-11-21(28(35)36)27-24(34)18-32(8)23-12-13-25-29(4,5)26(37-20(3)33)15-16-30(25,6)22(23)14-17-31(27,32)7/h10,21,24-27,34H,9,11-18H2,1-8H3,(H,35,36)/t21-,24-,25+,26+,27+,30-,31-,32+/m1/s1 |
| InChIKey | SRDNLMOBFKJOSD-KOCSMGCBSA-N |
| Literature Reference Author | L.ZHOU,Y.ZHANG,L.A.GAPTER,H.LING,R.AGARWAL,K.Y.NG |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,1459(2008) |
| Literature Reference DOI | 10.1248/cpb.56.1459 |
| Molecular Weight | 514.746 g/mol |
| Sample ID | 2302 |
| Solvent | C5D5N |