| SpectraBase Compound ID | 79fdrq9PczH |
|---|---|
| InChI | InChI=1S/C32H40O11/c1-7-15(2)25(36)28(37)42-27-26-24(16(3)32(38)20(33)10-18(31(27,32)6)17-8-9-39-13-17)30(5)19-11-22(34)40-14-29(19,4)43-23(35)12-21(30)41-26/h8-9,13,15,18-19,21,24-27,36,38H,3,7,10-12,14H2,1-2,4-6H3/t15?,18-,19-,21-,24+,25?,26+,27-,29+,30+,31+,32+/m0/s1 |
| InChIKey | WQTDOKKJTKGBTA-ZLFFAQKUSA-N |
| Mol Weight | 600.7 g/mol |
| Molecular Formula | C32H40O11 |
| Exact Mass | 600.257062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | SNctNh6WDI |
|---|---|
| Name | ROHITUKA-3 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H40O11 |
| InChI | InChI=1S/C32H40O11/c1-7-15(2)25(36)28(37)42-27-26-24(16(3)32(38)20(33)10-18(31(27,32)6)17-8-9-39-13-17)30(5)19-11-22(34)40-14-29(19,4)43-23(35)12-21(30)41-26/h8-9,13,15,18-19,21,24-27,36,38H,3,7,10-12,14H2,1-2,4-6H3/t15?,18-,19-,21-,24+,25?,26+,27-,29+,30+,31+,32+/m0/s1 |
| InChIKey | WQTDOKKJTKGBTA-ZLFFAQKUSA-N |
| Literature Reference Author | A.A.L.GUNATILAKA,V.D.S.BOLZANI,E.DAGNE,G.A.HOFMANN,R.K.JOHNS ON,F.L.MCCABE,M.R.MA |
| Literature Reference Citation | J.NAT.PROD.,61,179(1998) |
| Literature Reference DOI | 10.1021/np9701687 |
| Molecular Weight | 600.663 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP345 |