| SpectraBase Compound ID | 3fRzdl8qZFo |
|---|---|
| InChI | InChI=1S/C57H92O27/c1-23-39(80-45-38(71)40(29(64)19-75-45)81-49-43(72)57(74,21-60)22-77-49)35(68)37(70)46(78-23)82-41-32(65)28(63)18-76-48(41)84-50(73)56-12-10-51(2,3)14-25(56)24-8-9-31-52(4)15-27(62)44(83-47-36(69)34(67)33(66)30(17-58)79-47)53(5,20-59)42(52)26(61)16-55(31,7)54(24,6)11-13-56/h8,23,25-49,58-72,74H,9-22H2,1-7H3/t23-,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 | CLNPDDMTKIPNGZ-KSSLVFRFSA-N |
| Mol Weight | 1209.3 g/mol |
| Molecular Formula | C57H92O27 |
| Exact Mass | 1208.582598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8xYLFUKKiQ |
|---|---|
| Name | BUTYROSIDE_A;3-O-BETA-D-GLUCOPYRANOSYL_PROTOBASSIC_ACID_28-O-BETA-D-APIOFURANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNO |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H92O27 |
| InChI | InChI=1S/C57H92O27/c1-23-39(80-45-38(71)40(29(64)19-75-45)81-49-43(72)57(74,21-60)22-77-49)35(68)37(70)46(78-23)82-41-32(65)28(63)18-76-48(41)84-50(73)56-12-10-51(2,3)14-25(56)24-8-9-31-52(4)15-27(62)44(83-47-36(69)34(67)33(66)30(17-58)79-47)53(5,20-59)42(52)26(61)16-55(31,7)54(24,6)11-13-56/h8,23,25-49,58-72,74H,9-22H2,1-7H3/t23-,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 | CLNPDDMTKIPNGZ-KSSLVFRFSA-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 | 1209.341 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ21456 |