| SpectraBase Compound ID | IVRrxMxz3uo |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-17(2)18(3)8-9-19(4)20-10-11-28(6)25-21(32)14-22-29(7,26(35)36)23(33)15-24(34)31(22)16-30(25,31)13-12-27(20,28)5/h17,19-25,32-34H,3,8-16H2,1-2,4-7H3,(H,35,36)/t19-,20-,21+,22+,23+,24+,25+,27-,28+,29-,30+,31-/m1/s1 |
| InChIKey | AVNXWYPJFUFAOZ-QJDDQRAPSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C31H50O5 |
| Exact Mass | 502.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HidHBme4cLm |
|---|---|
| Name | 7-BETA-HYDROXY-23-DEOXOJESSIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-17(2)18(3)8-9-19(4)20-10-11-28(6)25-21(32)14-22-29(7,26(35)36)23(33)15-24(34)31(22)16-30(25,31)13-12-27(20,28)5/h17,19-25,32-34H,3,8-16H2,1-2,4-7H3,(H,35,36)/t19-,20-,21+,22+,23+,24+,25+,27-,28+,29-,30+,31-/m1/s1 |
| InChIKey | AVNXWYPJFUFAOZ-QJDDQRAPSA-N |
| Literature Reference Author | H.M.AL-YOUSSEF,M.AMINA,A.M.EL-SHAFAE |
| Literature Reference Citation | J.CHEM.PHARM.RES.,4,1,508(2012) |
| Molecular Weight | 502.735 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWIR14017 |