| SpectraBase Compound ID | C3XWsTCYu5u |
|---|---|
| InChI | InChI=1S/C30H46O6/c1-16(2)17-9-12-29(25(35)36)13-14-30(15-31)18(21(17)29)7-8-20-27(30,5)11-10-19-26(3,4)23(32)22(24(33)34)28(19,20)6/h17-23,31-32H,1,7-15H2,2-6H3,(H,33,34)(H,35,36)/t17-,18+,19-,20-,21+,22+,23-,27+,28-,29-,30-/m0/s1 |
| InChIKey | PESUICNHFIBIRR-ADCWDTJLSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C30H46O6 |
| Exact Mass | 502.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRbruGYchbx |
|---|---|
| Name | 27-HYDROXY-CEANOTHIC-ACID;2-ALPHA-CARBOXY-3-BETA,27-DIHYDROXY-A(1)-NORLUP-20(29)-EN-28-OIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O6 |
| InChI | InChI=1S/C30H46O6/c1-16(2)17-9-12-29(25(35)36)13-14-30(15-31)18(21(17)29)7-8-20-27(30,5)11-10-19-26(3,4)23(32)22(24(33)34)28(19,20)6/h17-23,31-32H,1,7-15H2,2-6H3,(H,33,34)(H,35,36)/t17-,18+,19-,20-,21+,22+,23-,27+,28-,29-,30-/m0/s1 |
| InChIKey | PESUICNHFIBIRR-ADCWDTJLSA-N |
| Literature Reference Author | X.C.LI,L.CAI,C.D.WU |
| Literature Reference Citation | PHYTOCHEM.,46,97(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00222-7 |
| Molecular Weight | 502.692 g/mol |
| Sample ID | 44797 |
| Solvent | C5D5N |