| SpectraBase Compound ID | 8ubJ5llZm9x |
|---|---|
| InChI | InChI=1S/C33H40O10/c1-8-18(2)13-14-32(7)19(3)15-28(42-29(38)23-9-11-24(37)12-10-23)33-26(16-25(17-27(32)33)39-20(4)34)30(40-21(5)35)43-31(33)41-22(6)36/h8-13,16,19,25,27-28,30-31,37H,1,14-15,17H2,2-7H3/b18-13+/t19-,25+,27+,28+,30+,31-,32-,33-/m1/s1 |
| InChIKey | NVVFTAMNEDAOEH-MYSRHRGASA-N |
| Mol Weight | 596.7 g/mol |
| Molecular Formula | C33H40O10 |
| Exact Mass | 596.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kqErZO2jsr |
|---|---|
| Name | CASEABORIN-E;NSC-#703079 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O10 |
| InChI | InChI=1S/C33H40O10/c1-8-18(2)13-14-32(7)19(3)15-28(42-29(38)23-9-11-24(37)12-10-23)33-26(16-25(17-27(32)33)39-20(4)34)30(40-21(5)35)43-31(33)41-22(6)36/h8-13,16,19,25,27-28,30-31,37H,1,14-15,17H2,2-7H3/b18-13+/t19-,25+,27+,28+,30+,31-,32-,33-/m1/s1 |
| InChIKey | NVVFTAMNEDAOEH-MYSRHRGASA-N |
| Literature Reference Author | J.A.BEUTLER,K.L.MCCALL,K.HERBERT,D.L.HERALD,G.R.PETTIT,T.JOH NSON,R.H.SHOEMAKER,M |
| Literature Reference Citation | J.NAT.PROD.,63,657(2000) |
| Literature Reference DOI | 10.1021/np990553r |
| Molecular Weight | 596.675 g/mol |
| Solvent | CDCl3 |