| SpectraBase Compound ID | CUfari5fzv7 |
|---|---|
| InChI | InChI=1S/C30H48O7/c1-16(13-19(31)24(33)27(4,5)36)17-9-11-29(7)18(17)14-20-23-28(6,15-22(32)37-20)21(10-12-30(23,29)8)26(2,3)25(34)35/h16,19-21,23-24,31,33,36H,9-15H2,1-8H3,(H,34,35)/t16-,19+,20+,21+,23+,24-,28+,29+,30+/m1/s1 |
| InChIKey | KKXUNIAWSGXCIU-BFUVOVAVSA-N |
| Mol Weight | 520.7 g/mol |
| Molecular Formula | C30H48O7 |
| Exact Mass | 520.340004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GkjHCSpBHrv |
|---|---|
| Name | ALISOL-P;(20-R,23-S,24-R)-23,24,25-TRIHYDROXY-2,3-SECO-PROTOST-13(17)-EN-3-OIC-ACID-2,11-BETA-LACTONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O7 |
| InChI | InChI=1S/C30H48O7/c1-16(13-19(31)24(33)27(4,5)36)17-9-11-29(7)18(17)14-20-23-28(6,15-22(32)37-20)21(10-12-30(23,29)8)26(2,3)25(34)35/h16,19-21,23-24,31,33,36H,9-15H2,1-8H3,(H,34,35)/t16-,19+,20+,21+,23+,24-,28+,29+,30+/m1/s1 |
| InChIKey | KKXUNIAWSGXCIU-BFUVOVAVSA-N |
| Literature Reference Author | M.ZHAO,L.J.XU,C.T.CHE |
| Literature Reference Citation | PHYTOCHEM.,69,527(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.06.014 |
| Molecular Weight | 520.707 g/mol |
| Sample ID | 44778 |
| Solvent | CDCl3 |