| SpectraBase Compound ID | 4dN0wVANmzC |
|---|---|
| InChI | InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17-,18+,19-,20-,21+,22+,23-,27+,28+,29-,30-/m0/s1 |
| InChIKey | WLCHQSHZHFLMJH-VILVJDKQSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C30H46O5 |
| Exact Mass | 486.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3hpk849nQNm |
|---|---|
| Name | CEANOTHIC-ACID;2-ALPHA-CARBOXY-3-BETA-HYDROXY-A(1)-NORLUP-20(29)-EN-28-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O5 |
| InChI | InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17-,18+,19-,20-,21+,22+,23-,27+,28+,29-,30-/m0/s1 |
| InChIKey | WLCHQSHZHFLMJH-VILVJDKQSA-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 | 486.692 g/mol |
| Sample ID | 44796 |
| Solvent | C5D5N |