| SpectraBase Compound ID | gBLAwlpRm |
|---|---|
| InChI | InChI=1S/C32H40O9/c1-8-18(2)11-13-31(6)19(3)12-14-32-24(29(38-20(4)33)41-30(32)39-21(5)34)16-23(17-27(31)32)40-28(36)22-9-10-25(35)26(15-22)37-7/h8-11,15-16,19,23,27,29-30,35H,1,12-14,17H2,2-7H3/b18-11+/t19-,23+,27+,29+,30-,31-,32-/m1/s1 |
| InChIKey | HSCLLTPGIBCIBD-DZHOVOBOSA-N |
| Mol Weight | 568.7 g/mol |
| Molecular Formula | C32H40O9 |
| Exact Mass | 568.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KWx3v76T8bJ |
|---|---|
| Name | CASEABORIN-B;NSC-#703076 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H40O9 |
| InChI | InChI=1S/C32H40O9/c1-8-18(2)11-13-31(6)19(3)12-14-32-24(29(38-20(4)33)41-30(32)39-21(5)34)16-23(17-27(31)32)40-28(36)22-9-10-25(35)26(15-22)37-7/h8-11,15-16,19,23,27,29-30,35H,1,12-14,17H2,2-7H3/b18-11+/t19-,23+,27+,29+,30-,31-,32-/m1/s1 |
| InChIKey | HSCLLTPGIBCIBD-DZHOVOBOSA-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 | 568.664 g/mol |
| Solvent | CDCl3 |