| SpectraBase Compound ID | Fr9nZTyi4O3 |
|---|---|
| InChI | InChI=1S/C31H38O9/c1-7-17(2)12-13-30(6)18(3)14-26(39-27(36)21-8-10-22(34)11-9-21)31-24(15-23(35)16-25(30)31)28(37-19(4)32)40-29(31)38-20(5)33/h7-12,15,18,23,25-26,28-29,34-35H,1,13-14,16H2,2-6H3/b17-12+/t18-,23+,25+,26+,28+,29-,30-,31-/m1/s1 |
| InChIKey | CIQOXQMVAFIWID-VICZHGOXSA-N |
| Mol Weight | 554.6 g/mol |
| Molecular Formula | C31H38O9 |
| Exact Mass | 554.251583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AIh8dBliHSS |
|---|---|
| Name | CASEABORIN-C;NSC-#703077 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O9 |
| InChI | InChI=1S/C31H38O9/c1-7-17(2)12-13-30(6)18(3)14-26(39-27(36)21-8-10-22(34)11-9-21)31-24(15-23(35)16-25(30)31)28(37-19(4)32)40-29(31)38-20(5)33/h7-12,15,18,23,25-26,28-29,34-35H,1,13-14,16H2,2-6H3/b17-12+/t18-,23+,25+,26+,28+,29-,30-,31-/m1/s1 |
| InChIKey | CIQOXQMVAFIWID-VICZHGOXSA-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 | 554.637 g/mol |
| Solvent | CDCl3 |