| SpectraBase Compound ID | 4m8bP3lgJw |
|---|---|
| InChI | InChI=1S/C57H92O28/c1-22-39(81-45-38(72)40(28(64)18-76-45)82-49-43(73)56(75,20-60)21-78-49)35(69)37(71)46(79-22)83-41-32(66)27(63)17-77-48(41)85-50(74)57-11-10-51(2,3)12-24(57)23-8-9-30-52(4)13-26(62)44(84-47-36(70)34(68)33(67)29(16-58)80-47)53(5,19-59)42(52)25(61)14-55(30,7)54(23,6)15-31(57)65/h8,22,24-49,58-73,75H,9-21H2,1-7H3/t22-,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+,52+,53-,54+,55+,56-,57+/m0/s1 |
| InChIKey | KGASGDAHIPOLIY-NPFHIIECSA-N |
| Mol Weight | 1225.3 g/mol |
| Molecular Formula | C57H92O28 |
| Exact Mass | 1224.577512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FCx56jCxNGk |
|---|---|
| Name | BUTYROSIDE_B;3-O-BETA-D-GLUCOPYRANOSYL_16-ALPHA-HYDROXY_PROTOBASSIC_ACID_28-O-BETA-D-APIOFURANOSYL-(1->3)-BETA- |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H92O28 |
| InChI | InChI=1S/C57H92O28/c1-22-39(81-45-38(72)40(28(64)18-76-45)82-49-43(73)56(75,20-60)21-78-49)35(69)37(71)46(79-22)83-41-32(66)27(63)17-77-48(41)85-50(74)57-11-10-51(2,3)12-24(57)23-8-9-30-52(4)13-26(62)44(84-47-36(70)34(68)33(67)29(16-58)80-47)53(5,19-59)42(52)25(61)14-55(30,7)54(23,6)15-31(57)65/h8,22,24-49,58-73,75H,9-21H2,1-7H3/t22-,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+,52+,53-,54+,55+,56-,57+/m0/s1 |
| InChIKey | KGASGDAHIPOLIY-NPFHIIECSA-N |
| Literature Reference Author | S.K.NIGAM,X.C.LI,D.Z.WANG,G.MISRA,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,31,3169(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83468-E |
| Molecular Weight | 1225.341 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ21457 |