| SpectraBase Compound ID | 8tPJCINp970 |
|---|---|
| InChI | InChI=1S/C42H66O17/c1-17(11-26(46)19(3)24-9-10-25-23-8-7-21-12-22(45)13-30(48)42(21,6)31(23)27(47)14-41(24,25)5)18(2)38(54)59-40-37(35(52)33(50)29(57-40)16-55-20(4)44)58-39-36(53)34(51)32(49)28(15-43)56-39/h7,19,22-37,39-40,43,45-53H,8-16H2,1-6H3/b18-17+/t19-,22+,23?,24+,25?,26-,27-,28+,29+,30-,31?,32+,33+,34-,35-,36+,37+,39-,40-,41+,42+/m0/s1 |
| InChIKey | CRRPFFTZRFACDM-BNDFSIQUSA-N |
| Mol Weight | 843.0 g/mol |
| Molecular Formula | C42H66O17 |
| Exact Mass | 842.430001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7uE1ZxLBl28 |
|---|---|
| Name | CRRPFFTZRFACDM-BNDFSIQUSA-N |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O17 |
| InChI | InChI=1S/C42H66O17/c1-17(11-26(46)19(3)24-9-10-25-23-8-7-21-12-22(45)13-30(48)42(21,6)31(23)27(47)14-41(24,25)5)18(2)38(54)59-40-37(35(52)33(50)29(57-40)16-55-20(4)44)58-39-36(53)34(51)32(49)28(15-43)56-39/h7,19,22-37,39-40,43,45-53H,8-16H2,1-6H3/b18-17+/t19-,22+,23?,24+,25?,26-,27-,28+,29+,30-,31?,32+,33+,34-,35-,36+,37+,39-,40-,41+,42+/m0/s1 |
| InChIKey | CRRPFFTZRFACDM-BNDFSIQUSA-N |
| Literature Reference Author | C.A.ELLIGER,W.F.HADDON,L.HARDEN,A.C.WAISS,R.Y.WONG |
| Literature Reference Citation | J.NAT.PROD.,57,348(1994) |
| Literature Reference DOI | 10.1021/np50105a003 |
| Molecular Weight | 842.976 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWTS1772 |