| SpectraBase Compound ID | IQEXkipMHEy |
|---|---|
| InChI | InChI=1S/C64H104O30/c1-25-36(69)50(92-53-47(80)49(29(68)23-83-53)91-54-45(78)42(75)39(72)31(21-66)88-54)48(81)56(86-25)93-51-37(70)28(67)22-84-57(51)90-35-12-13-61(6)33(60(35,4)5)11-14-63(8)34(61)10-9-26-27-19-59(2,3)15-17-64(27,18-16-62(26,63)7)58(82)94-55-46(79)43(76)40(73)32(89-55)24-85-52-44(77)41(74)38(71)30(20-65)87-52/h9,25,27-57,65-81H,10-24H2,1-8H3/t25-,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-,61-,62+,63+,64-/m1/s1 |
| InChIKey | XCUHLMFQHFPBAI-KNMRWDKPSA-N |
| Mol Weight | 1353.5 g/mol |
| Molecular Formula | C64H104O30 |
| Exact Mass | 1352.661242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYNibkj3DlP |
|---|---|
| Name | BRETSCHNOSIDE B |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C64H104O30 |
| InChI | InChI=1S/C64H104O30/c1-25-36(69)50(92-53-47(80)49(29(68)23-83-53)91-54-45(78)42(75)39(72)31(21-66)88-54)48(81)56(86-25)93-51-37(70)28(67)22-84-57(51)90-35-12-13-61(6)33(60(35,4)5)11-14-63(8)34(61)10-9-26-27-19-59(2,3)15-17-64(27,18-16-62(26,63)7)58(82)94-55-46(79)43(76)40(73)32(89-55)24-85-52-44(77)41(74)38(71)30(20-65)87-52/h9,25,27-57,65-81H,10-24H2,1-8H3/t25-,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-,61-,62+,63+,64-/m1/s1 |
| InChIKey | XCUHLMFQHFPBAI-KNMRWDKPSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |