![METHYL-1-ALPHA,6-DIACETOXY-8-ALPHA,14-BETA,30-BETA-TRIHYDROXY-3-OXO-[3.3.1(10,2).1(1,4)]-TRICYLOMELIAC-7-OATE](/api/spectrum/20RsHrWwM3s/structure.png?h=300&w=458 "METHYL-1-ALPHA,6-DIACETOXY-8-ALPHA,14-BETA,30-BETA-TRIHYDROXY-3-OXO-[3.3.1(10,2).1(1,4)]-TRICYLOMELIAC-7-OATE")
| SpectraBase Compound ID | 1sy1ErPiZui |
|---|---|
| InChI | InChI=1S/C31H38O13/c1-14(32)42-20(25(37)40-6)21-26(3)13-29(44-15(2)33)19(22(26)35)23(36)31(39)17(28(21,29)5)7-9-27(4)24(16-8-10-41-12-16)43-18(34)11-30(27,31)38/h8,10,12,17,19-21,23-24,36,38-39H,7,9,11,13H2,1-6H3/t17?,19-,20?,21+,23+,24+,26+,27+,28-,29+,30-,31+/m1/s1 |
| InChIKey | YHESNVRRRAUIPI-WKXHSTHXSA-N |
| Mol Weight | 618.6 g/mol |
| Molecular Formula | C31H38O13 |
| Exact Mass | 618.231241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20RsHrWwM3s |
|---|---|
| Name | METHYL-1-ALPHA,6-DIACETOXY-8-ALPHA,14-BETA,30-BETA-TRIHYDROXY-3-OXO-[3.3.1(10,2).1(1,4)]-TRICYLOMELIAC-7-OATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O13 |
| InChI | InChI=1S/C31H38O13/c1-14(32)42-20(25(37)40-6)21-26(3)13-29(44-15(2)33)19(22(26)35)23(36)31(39)17(28(21,29)5)7-9-27(4)24(16-8-10-41-12-16)43-18(34)11-30(27,31)38/h8,10,12,17,19-21,23-24,36,38-39H,7,9,11,13H2,1-6H3/t17?,19-,20?,21+,23+,24+,26+,27+,28-,29+,30-,31+/m1/s1 |
| InChIKey | YHESNVRRRAUIPI-WKXHSTHXSA-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.J.MARSAIOLI,A.L.P |
| Literature Reference Citation | PHYTOCHEM.,42,831(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00093-3 |
| Molecular Weight | 618.635 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3614 |