| SpectraBase Compound ID | 73zctAQqzl2 |
|---|---|
| InChI | InChI=1S/C59H88O22/c1-28(61)36-21-23-59(68)37-18-17-34-24-35(20-22-57(34,6)44(37)52(75-32(5)62)54(58(36,59)7)78-41(63)19-16-33-14-12-11-13-15-33)76-42-25-38(69-8)49(29(2)72-42)79-43-26-39(70-9)50(30(3)73-43)80-56-48(67)53(71-10)51(31(4)74-56)81-55-47(66)46(65)45(64)40(27-60)77-55/h11-16,19,29-31,34-40,42-56,60,64-68H,17-18,20-27H2,1-10H3/b19-16+/t29-,30-,31-,34+,35+,36-,37-,38+,39-,40-,42+,43+,44-,45-,46+,47-,48-,49-,50-,51-,52+,53+,54-,55+,56+,57+,58+,59+/m1/s1 |
| InChIKey | HZQLSCOFJKYUJZ-YHTZNGRXSA-N |
| Mol Weight | 1149.3 g/mol |
| Molecular Formula | C59H88O22 |
| Exact Mass | 1148.576724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZIE7bRFW8h |
|---|---|
| Name | CONDURANGOGENIN-A-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-6-DEOXY-3-O-METHYL-ALLOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H88O22 |
| InChI | InChI=1S/C59H88O22/c1-28(61)36-21-23-59(68)37-18-17-34-24-35(20-22-57(34,6)44(37)52(75-32(5)62)54(58(36,59)7)78-41(63)19-16-33-14-12-11-13-15-33)76-42-25-38(69-8)49(29(2)72-42)79-43-26-39(70-9)50(30(3)73-43)80-56-48(67)53(71-10)51(31(4)74-56)81-55-47(66)46(65)45(64)40(27-60)77-55/h11-16,19,29-31,34-40,42-56,60,64-68H,17-18,20-27H2,1-10H3/b19-16+/t29-,30-,31-,34+,35+,36-,37-,38+,39-,40-,42+,43+,44-,45-,46+,47-,48-,49-,50-,51-,52+,53+,54-,55+,56+,57+,58+,59+/m1/s1 |
| InChIKey | HZQLSCOFJKYUJZ-YHTZNGRXSA-N |
| Literature Reference Author | S.BERGER,P.JUNIOR,L.KOPANSKI |
| Literature Reference Citation | PHYTOCHEM.,27,1451(1988) |
| Literature Reference DOI | 10.1016/0031-9422(88)80214-0 |
| Molecular Weight | 1149.335 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1108 |