| SpectraBase Compound ID | Ibu3RZU2FP |
|---|---|
| InChI | InChI=1S/C32H44O13/c1-10-11-25(37)43-21-14-23(40-18(5)34)30(8)26(16(21)3)28(42-20(7)36)32-24(44-29(38)31(32,9)45-32)13-15(2)12-22(39-17(4)33)27(30)41-19(6)35/h13,16,21-24,26-28H,10-12,14H2,1-9H3/b15-13-/t16-,21-,22-,23-,24-,26+,27-,28-,30-,31-,32-/m0/s1 |
| InChIKey | RDDNEKXKTMRLDN-NWXFCBCHSA-N |
| Mol Weight | 636.7 g/mol |
| Molecular Formula | C32H44O13 |
| Exact Mass | 636.278191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4pDS6EMmDRZ |
|---|---|
| Name | EXCAVATOLIDE-J |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44O13 |
| InChI | InChI=1S/C32H44O13/c1-10-11-25(37)43-21-14-23(40-18(5)34)30(8)26(16(21)3)28(42-20(7)36)32-24(44-29(38)31(32,9)45-32)13-15(2)12-22(39-17(4)33)27(30)41-19(6)35/h13,16,21-24,26-28H,10-12,14H2,1-9H3/b15-13-/t16-,21-,22-,23-,24-,26+,27-,28-,30-,31-,32-/m0/s1 |
| InChIKey | RDDNEKXKTMRLDN-NWXFCBCHSA-N |
| Literature Reference Author | P.J.SUNG,J.H.SU,G.H.WANG,S.F.LIN,C.Y.DUH,J.H.SHEU |
| Literature Reference Citation | J.NAT.PROD.,62,457(1999) |
| Literature Reference DOI | 10.1021/np980446h |
| Molecular Weight | 636.694 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP7881 |