| SpectraBase Compound ID | FSZr4DagRiK |
|---|---|
| InChI | InChI=1S/C62H104O33/c1-22(20-83-54-46(78)42(74)38(70)31(15-63)86-54)7-12-62(82)23(2)36-30(95-62)14-28-26-6-5-24-13-25(8-10-60(24,3)27(26)9-11-61(28,36)4)85-56-48(80)44(76)50(35(19-67)90-56)91-59-53(52(41(73)34(18-66)89-59)93-55-45(77)37(69)29(68)21-84-55)94-58-49(81)51(40(72)33(17-65)88-58)92-57-47(79)43(75)39(71)32(16-64)87-57/h22-59,63-82H,5-21H2,1-4H3/t22-,23+,24+,25+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46+,47+,48-,49+,50+,51-,52-,53+,54+,55+,56-,57-,58-,59-,60+,61+,62?/m1/s1 |
| InChIKey | JQPXHZSJQFUIOM-AIUAKQMRSA-N |
| Mol Weight | 1377.5 g/mol |
| Molecular Formula | C62H104O33 |
| Exact Mass | 1376.645986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYvPV5omJnN |
|---|---|
| Name | JQPXHZSJQFUIOM-AIUAKQMRSA-N |
| Compound Number | 98 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H104O33 |
| InChI | InChI=1S/C62H104O33/c1-22(20-83-54-46(78)42(74)38(70)31(15-63)86-54)7-12-62(82)23(2)36-30(95-62)14-28-26-6-5-24-13-25(8-10-60(24,3)27(26)9-11-61(28,36)4)85-56-48(80)44(76)50(35(19-67)90-56)91-59-53(52(41(73)34(18-66)89-59)93-55-45(77)37(69)29(68)21-84-55)94-58-49(81)51(40(72)33(17-65)88-58)92-57-47(79)43(75)39(71)32(16-64)87-57/h22-59,63-82H,5-21H2,1-4H3/t22-,23+,24+,25+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46+,47+,48-,49+,50+,51-,52-,53+,54+,55+,56-,57-,58-,59-,60+,61+,62?/m1/s1 |
| InChIKey | JQPXHZSJQFUIOM-AIUAKQMRSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 1377.488 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22186 |