| SpectraBase Compound ID | NmqodbuPVB |
|---|---|
| InChI | InChI=1S/C42H67NO18/c1-22-35(47)27(51-6)17-33(55-22)59-37-24(3)57-34(19-29(37)53-8)60-36-23(2)56-32(18-28(36)52-7)54-21-26(40(49)43-14-15-44)42(50)39(38(48)41(4,5)30(20-45)61-42)58-31(46)16-25-12-10-9-11-13-25/h9-13,22-24,26-30,32-39,44-45,47-48,50H,14-21H2,1-8H3,(H,43,49)/t22-,23-,24+,26?,27-,28-,29-,30-,32+,33-,34-,35+,36+,37+,38-,39+,42+/m0/s1 |
| InChIKey | KAFAZCJIQJDVGR-FJXREWFTSA-N |
| Mol Weight | 874.0 g/mol |
| Molecular Formula | C42H67NO18 |
| Exact Mass | 873.435814 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J1OX8zmvLu7 |
|---|---|
| Name | KAFAZCJIQJDVGR-FJXREWFTSA-N |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H67NO18 |
| InChI | InChI=1S/C42H67NO18/c1-22-35(47)27(51-6)17-33(55-22)59-37-24(3)57-34(19-29(37)53-8)60-36-23(2)56-32(18-28(36)52-7)54-21-26(40(49)43-14-15-44)42(50)39(38(48)41(4,5)30(20-45)61-42)58-31(46)16-25-12-10-9-11-13-25/h9-13,22-24,26-30,32-39,44-45,47-48,50H,14-21H2,1-8H3,(H,43,49)/t22-,23-,24+,26?,27-,28-,29-,30-,32+,33-,34-,35+,36+,37+,38-,39+,42+/m0/s1 |
| InChIKey | KAFAZCJIQJDVGR-FJXREWFTSA-N |
| Literature Reference Author | G.T.CARTER,D.W.PHILLIPSON,R.R.WEST,D.B.BORDERS |
| Literature Reference Citation | J.ORG.CHEM.,58,6588(1993) |
| Literature Reference DOI | 10.1021/jo00076a016 |
| Molecular Weight | 873.990 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ3952 |