| SpectraBase Compound ID | BpSunRCIxFP |
|---|---|
| InChI | InChI=1S/C30H52O4/c1-25(2)22(33)12-14-28(6)21-10-9-20-27(5)13-11-17(26(3,4)34)23(27)18(31)15-29(20,7)30(21,8)16-19(32)24(25)28/h17-24,31-34H,9-16H2,1-8H3/t17-,18-,19-,20+,21?,22-,23?,24?,27+,28+,29+,30+/m0/s1 |
| InChIKey | USLXSBTYECTZSS-NWJDVLCISA-N |
| Mol Weight | 476.7 g/mol |
| Molecular Formula | C30H52O4 |
| Exact Mass | 476.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HrIY5wm8GWK |
|---|---|
| Name | MOLLUGOGENOL-A;6-ALPHA,16-BETA,22-TRIHYDROXYHOPANE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H52O4 |
| InChI | InChI=1S/C30H52O4/c1-25(2)22(33)12-14-28(6)21-10-9-20-27(5)13-11-17(26(3,4)34)23(27)18(31)15-29(20,7)30(21,8)16-19(32)24(25)28/h17-24,31-34H,9-16H2,1-8H3/t17-,18-,19-,20+,21?,22-,23?,24?,27+,28+,29+,30+/m0/s1 |
| InChIKey | USLXSBTYECTZSS-NWJDVLCISA-N |
| Literature Reference Author | M.R.MESELHY,E.S.A.ABOUTABL |
| Literature Reference Citation | PHYTOCHEM.,44,925(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00653-X |
| Molecular Weight | 476.740 g/mol |
| Solvent | CDCl3:C5D5N=9:1 |
| Source File Reference | UWPA345 |