| SpectraBase Compound ID | TVwXVK8UTS |
|---|---|
| InChI | InChI=1S/C58H96O27/c1-22(21-75-50-42(68)40(66)37(63)32(19-59)80-50)11-16-57(74-8)26(5)58(73)34(85-57)18-31-29-10-9-27-17-28(12-14-55(27,6)30(29)13-15-56(31,58)7)79-54-49(84-52-44(70)39(65)36(62)24(3)77-52)46(72)48(33(20-60)81-54)83-53-45(71)41(67)47(25(4)78-53)82-51-43(69)38(64)35(61)23(2)76-51/h9,22-26,28-54,59-73H,10-21H2,1-8H3/t22-,23-,24+,25+,26-,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-/m1/s1 |
| InChIKey | HCOSNKHROWAADD-BCNPMMJESA-N |
| Mol Weight | 1225.4 g/mol |
| Molecular Formula | C58H96O27 |
| Exact Mass | 1224.613898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQmpmVJJWNt |
|---|---|
| Name | HCOSNKHROWAADD-BCNPMMJESA-N |
| Compound Number | 118 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H96O27 |
| InChI | InChI=1S/C58H96O27/c1-22(21-75-50-42(68)40(66)37(63)32(19-59)80-50)11-16-57(74-8)26(5)58(73)34(85-57)18-31-29-10-9-27-17-28(12-14-55(27,6)30(29)13-15-56(31,58)7)79-54-49(84-52-44(70)39(65)36(62)24(3)77-52)46(72)48(33(20-60)81-54)83-53-45(71)41(67)47(25(4)78-53)82-51-43(69)38(64)35(61)23(2)76-51/h9,22-26,28-54,59-73H,10-21H2,1-8H3/t22-,23-,24+,25+,26-,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-/m1/s1 |
| InChIKey | HCOSNKHROWAADD-BCNPMMJESA-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 | 1225.384 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS22206 |