| SpectraBase Compound ID | 5iKrCfnFxDF |
|---|---|
| InChI | InChI=1S/C53H88O22/c1-22-31(57)35(61)38(64)42(68-22)74-41-37(63)33(59)24(20-55)70-45(41)71-25-21-67-44(40(34(25)60)73-43-39(65)36(62)32(58)23(19-54)69-43)72-30-11-12-49(6)26(48(30,4)5)9-13-50(7)27(49)10-14-53-28-17-47(2,3)15-16-52(28,46(66)75-53)29(56)18-51(50,53)8/h22-46,54-66H,9-21H2,1-8H3/t22-,23-,24-,25-,26+,27-,28-,29-,30+,31-,32-,33-,34+,35+,36+,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-,49+,50-,51+,52-,53+/m1/s1 |
| InChIKey | JEMLIYIUNVPUDB-WNMRKEOHSA-N |
| Mol Weight | 1077.3 g/mol |
| Molecular Formula | C53H88O22 |
| Exact Mass | 1076.576724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7xwb3agM8TH |
|---|---|
| Name | #7;3-BETA-O-{BETA-D-RHAMNOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->4)-{O-BETA-D-GLUCOPYRANOSYL-(1->2)}-ALPHA-L-ARABINOPYRANOSYL}-16-ALPHA,28-DIHYDROXY-13-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H88O22 |
| InChI | InChI=1S/C53H88O22/c1-22-31(57)35(61)38(64)42(68-22)74-41-37(63)33(59)24(20-55)70-45(41)71-25-21-67-44(40(34(25)60)73-43-39(65)36(62)32(58)23(19-54)69-43)72-30-11-12-49(6)26(48(30,4)5)9-13-50(7)27(49)10-14-53-28-17-47(2,3)15-16-52(28,46(66)75-53)29(56)18-51(50,53)8/h22-46,54-66H,9-21H2,1-8H3/t22-,23-,24-,25-,26+,27-,28-,29-,30+,31-,32-,33-,34+,35+,36+,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-,49+,50-,51+,52-,53+/m1/s1 |
| InChIKey | JEMLIYIUNVPUDB-WNMRKEOHSA-N |
| Literature Reference Author | S.J.BLOOR,L.QI |
| Literature Reference Citation | J.NAT.PROD.,57,1354(1994) |
| Literature Reference DOI | 10.1021/np50112a004 |
| Molecular Weight | 1077.269 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWTS2623 |