| SpectraBase Compound ID | 8RoCRZYZq2P |
|---|---|
| InChI | InChI=1S/C33H46O13/c1-10-12-26(38)44-22-13-16(3)14-24-33(32(9,46-33)30(39)45-24)29(42-20(7)36)27-17(4)21(43-25(37)11-2)15-23(40-18(5)34)31(27,8)28(22)41-19(6)35/h14,17,21-24,27-29H,10-13,15H2,1-9H3/b16-14-/t17-,21-,22-,23-,24-,27+,28-,29-,31-,32-,33-/m0/s1 |
| InChIKey | JBXMZEVTKGJBHH-ZTQGKPKFSA-N |
| Mol Weight | 650.7 g/mol |
| Molecular Formula | C33H46O13 |
| Exact Mass | 650.293842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2SqxcZNBYqF |
|---|---|
| Name | EXCAVATOLIDE-U |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H46O13 |
| InChI | InChI=1S/C33H46O13/c1-10-12-26(38)44-22-13-16(3)14-24-33(32(9,46-33)30(39)45-24)29(42-20(7)36)27-17(4)21(43-25(37)11-2)15-23(40-18(5)34)31(27,8)28(22)41-19(6)35/h14,17,21-24,27-29H,10-13,15H2,1-9H3/b16-14-/t17-,21-,22-,23-,24-,27+,28-,29-,31-,32-,33-/m0/s1 |
| InChIKey | JBXMZEVTKGJBHH-ZTQGKPKFSA-N |
| Literature Reference Author | J.H.SHEU,P.J.SUNG,J.H.SU,G.H.WANG,C.Y.DUH,Y.C.SHEN,M.Y.CHIAN G,I.T.CHEN |
| Literature Reference Citation | J.NAT.PROD.,62,1415(1999) |
| Literature Reference DOI | 10.1021/np990302i |
| Molecular Weight | 650.720 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | WANG1356 |