![#1;SWIETEPHRAGMIN-A;METHYL-2-ACETOXY-3-BETA-TIGLOYLOXY-8,9,30-ORTHO-ISOBUTYLATE-1,8,9,30-TETRAHYDROXY-[3.3.1(2,10).1(1,4)]-TRICYCLOMELIAC-16,17-LACTONIC-14(15)](/api/spectrum/7BCbl7FmQnL/structure.png?h=300&w=458 "#1;SWIETEPHRAGMIN-A;METHYL-2-ACETOXY-3-BETA-TIGLOYLOXY-8,9,30-ORTHO-ISOBUTYLATE-1,8,9,30-TETRAHYDROXY-[3.3.1(2,10).1(1,4)]-TRICYCLOMELIAC-16,17-LACTONIC-14(15)")
| SpectraBase Compound ID | CsVhq5pqzmk |
|---|---|
| InChI | InChI=1S/C38H46O13/c1-10-20(4)28(42)47-29-32(7)18-34(43)33(8,23(32)15-25(40)44-9)35-13-12-31(6)24(16-26(41)46-27(31)22-11-14-45-17-22)36(35)30(37(29,34)48-21(5)39)49-38(50-35,51-36)19(2)3/h10-11,14,16-17,19,23,27,29-30,43H,12-13,15,18H2,1-9H3/b20-10+/t23-,27-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-/m0/s1 |
| InChIKey | HVBVLFPWEDYRDF-ZGGXONNDSA-N |
| Mol Weight | 710.8 g/mol |
| Molecular Formula | C38H46O13 |
| Exact Mass | 710.293842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7BCbl7FmQnL |
|---|---|
| Name | #1;SWIETEPHRAGMIN-A;METHYL-2-ACETOXY-3-BETA-TIGLOYLOXY-8,9,30-ORTHO-ISOBUTYLATE-1,8,9,30-TETRAHYDROXY-[3.3.1(2,10).1(1,4)]-TRICYCLOMELIAC-16,17-LACTONIC-14(15) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H46O13 |
| InChI | InChI=1S/C38H46O13/c1-10-20(4)28(42)47-29-32(7)18-34(43)33(8,23(32)15-25(40)44-9)35-13-12-31(6)24(16-26(41)46-27(31)22-11-14-45-17-22)36(35)30(37(29,34)48-21(5)39)49-38(50-35,51-36)19(2)3/h10-11,14,16-17,19,23,27,29-30,43H,12-13,15,18H2,1-9H3/b20-10+/t23-,27-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-/m0/s1 |
| InChIKey | HVBVLFPWEDYRDF-ZGGXONNDSA-N |
| Literature Reference Author | S.A.M.ABDELGALEIL,M.DOE,Y.MORIMOTO,M.NAKATANI |
| Literature Reference Citation | PHYTOCHEM.,67,452(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.11.020 |
| Molecular Weight | 710.775 g/mol |
| Sample ID | 66058 |
| Solvent | CDCl3 |