| SpectraBase Compound ID | 61uXvagGExU |
|---|---|
| InChI | InChI=1S/C57H94O29/c1-21(19-76-50-44(72)40(68)37(65)30(15-58)79-50)8-11-57(75-5)22(2)35-29(86-57)13-27-25-7-6-23-12-24(9-10-55(23,3)26(25)14-34(63)56(27,35)4)78-52-46(74)42(70)47(33(18-61)82-52)83-54-49(85-53-45(73)41(69)38(66)31(16-59)80-53)48(39(67)32(17-60)81-54)84-51-43(71)36(64)28(62)20-77-51/h21-33,35-54,58-62,64-74H,6-20H2,1-5H3/t21-,22-,23-,24-,25+,26-,27-,28+,29-,30-,31-,32-,33+,35-,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53+,54+,55-,56+,57?/m0/s1 |
| InChIKey | UEVGVDDRWSGCOD-FKKHQNSXSA-N |
| Mol Weight | 1243.3 g/mol |
| Molecular Formula | C57H94O29 |
| Exact Mass | 1242.588077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7vIAFcrqjYq |
|---|---|
| Name | CHLOROMALOSIDE_B;26-BETA-D-GLUCOPYRANOSYL-22-HYDROXY-25-(S)-5-ALPHA-FUROSTANE-3-BETA,26-DIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D- |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H94O29 |
| InChI | InChI=1S/C57H94O29/c1-21(19-76-50-44(72)40(68)37(65)30(15-58)79-50)8-11-57(75-5)22(2)35-29(86-57)13-27-25-7-6-23-12-24(9-10-55(23,3)26(25)14-34(63)56(27,35)4)78-52-46(74)42(70)47(33(18-61)82-52)83-54-49(85-53-45(73)41(69)38(66)31(16-59)80-53)48(39(67)32(17-60)81-54)84-51-43(71)36(64)28(62)20-77-51/h21-33,35-54,58-62,64-74H,6-20H2,1-5H3/t21-,22-,23-,24-,25+,26-,27-,28+,29-,30-,31-,32-,33+,35-,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53+,54+,55-,56+,57?/m0/s1 |
| InChIKey | UEVGVDDRWSGCOD-FKKHQNSXSA-N |
| Literature Reference Author | X.C.LI,D.Z.WANG,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,29,3893(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85354-I |
| Molecular Weight | 1243.356 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19527 |