| SpectraBase Compound ID | 1V1jMeGq4YT |
|---|---|
| InChI | InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24+,27-,28+,29+,30-/m1/s1 |
| InChIKey | ZKBGKWZSOPPDSD-ALZWDJPJSA-N |
| Mol Weight | 474.7 g/mol |
| Molecular Formula | C30H50O4 |
| Exact Mass | 474.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 70wKkN66L6y |
|---|---|
| Name | 20S,24S-EPOXY-25-HYDROXY-3,4-SECODAMMAR-4(28)-EN-3-OIC-ACID;SHOREIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O4 |
| InChI | InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24+,27-,28+,29+,30-/m1/s1 |
| InChIKey | ZKBGKWZSOPPDSD-ALZWDJPJSA-N |
| Literature Reference Author | A.HISHAM,M.D.A.BAI,Y.FUJIMOTO,N.HARA,H.SHIMADA |
| Literature Reference Citation | MAGN.RES.CHEM.,34,146(1996) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(199602)34:2<146::aid-omr850>3.0.co;2-u |
| Molecular Weight | 474.725 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2244 |