| SpectraBase Compound ID | 1UHm2E3QRPs |
|---|---|
| InChI | InChI=1S/C31H38O8/c1-7-18(2)12-14-30(6)19(3)13-15-31-25(28(36-20(4)32)39-29(31)37-21(5)33)16-24(17-26(30)31)38-27(35)22-8-10-23(34)11-9-22/h7-12,16,19,24,26,28-29,34H,1,13-15,17H2,2-6H3/b18-12+/t19-,24+,26+,28+,29-,30-,31-/m1/s1 |
| InChIKey | RKOVIXOSRVSKPI-OLAUXWBOSA-N |
| Mol Weight | 538.6 g/mol |
| Molecular Formula | C31H38O8 |
| Exact Mass | 538.256668 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JG5wrb6ZCtN |
|---|---|
| Name | CASEABORIN-A;NSC-#703075 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O8 |
| InChI | InChI=1S/C31H38O8/c1-7-18(2)12-14-30(6)19(3)13-15-31-25(28(36-20(4)32)39-29(31)37-21(5)33)16-24(17-26(30)31)38-27(35)22-8-10-23(34)11-9-22/h7-12,16,19,24,26,28-29,34H,1,13-15,17H2,2-6H3/b18-12+/t19-,24+,26+,28+,29-,30-,31-/m1/s1 |
| InChIKey | RKOVIXOSRVSKPI-OLAUXWBOSA-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 | 538.638 g/mol |
| Solvent | CDCl3 |