![METHYL-1-ALPHA,6,8-ALPHA,14-BETA,30-BETA-PENTAHYDROXY-3-OXO-[3.3.1(10,2).1(1,4)]-TRICYClOMELIAC-7-OATE](/api/spectrum/2vMIPucF080/structure.png?h=300&w=458 "METHYL-1-ALPHA,6,8-ALPHA,14-BETA,30-BETA-PENTAHYDROXY-3-OXO-[3.3.1(10,2).1(1,4)]-TRICYClOMELIAC-7-OATE")
| SpectraBase Compound ID | JEqUYdNYwUb |
|---|---|
| InChI | InChI=1S/C27H34O11/c1-22-11-25(33)15(18(22)30)19(31)27(35)13(24(25,3)17(22)16(29)21(32)36-4)5-7-23(2)20(12-6-8-37-10-12)38-14(28)9-26(23,27)34/h6,8,10,13,15-17,19-20,29,31,33-35H,5,7,9,11H2,1-4H3/t13?,15-,16?,17+,19+,20+,22-,23+,24-,25+,26-,27+/m1/s1 |
| InChIKey | ULRUSPPUNNVTCI-KIZXVNQYSA-N |
| Mol Weight | 534.6 g/mol |
| Molecular Formula | C27H34O11 |
| Exact Mass | 534.210112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vMIPucF080 |
|---|---|
| Name | METHYL-1-ALPHA,6,8-ALPHA,14-BETA,30-BETA-PENTAHYDROXY-3-OXO-[3.3.1(10,2).1(1,4)]-TRICYClOMELIAC-7-OATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34O11 |
| InChI | InChI=1S/C27H34O11/c1-22-11-25(33)15(18(22)30)19(31)27(35)13(24(25,3)17(22)16(29)21(32)36-4)5-7-23(2)20(12-6-8-37-10-12)38-14(28)9-26(23,27)34/h6,8,10,13,15-17,19-20,29,31,33-35H,5,7,9,11H2,1-4H3/t13?,15-,16?,17+,19+,20+,22-,23+,24-,25+,26-,27+/m1/s1 |
| InChIKey | ULRUSPPUNNVTCI-KIZXVNQYSA-N |
| Literature Reference Author | L.R.V.OLMO,M.F.D.G.F.D.SILVA,E.R.FO,P.C.VIEIRA,J.B.FERNANDES ,A.L.PINHEIRO,E.F.VI |
| Literature Reference Citation | PHYTOCHEM.,44,1157(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00571-7 |
| Molecular Weight | 534.560 g/mol |
| Solvent | Unknown |
| Source File Reference | UWPA434 |