| SpectraBase Compound ID | IgEkw9DLlBS |
|---|---|
| InChI | InChI=1S/C59H90O22/c1-28(61)36-21-23-59(68)37-18-17-34-24-35(20-22-57(34,6)44(37)52(54(58(36,59)7)75-32(5)62)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/h11-16,19,28-31,34-40,42-56,60-61,64-68H,17-18,20-27H2,1-10H3/b19-16+/t28?,29-,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 | AMYRWDWBZMZAQW-JPOXLCPJSA-N |
| Mol Weight | 1151.3 g/mol |
| Molecular Formula | C59H90O22 |
| Exact Mass | 1150.592375 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1p470GuQ2q |
|---|---|
| Name | BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-6-DEOXY-3-O-METHYL-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->3)-CONDURANGOGENIN-C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H90O22 |
| InChI | InChI=1S/C59H90O22/c1-28(61)36-21-23-59(68)37-18-17-34-24-35(20-22-57(34,6)44(37)52(54(58(36,59)7)75-32(5)62)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/h11-16,19,28-31,34-40,42-56,60-61,64-68H,17-18,20-27H2,1-10H3/b19-16+/t28?,29-,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 | AMYRWDWBZMZAQW-JPOXLCPJSA-N |
| Literature Reference Author | K.HAYASHI,K.WADA,H.MITSUHASHI,H.BANDO,M.TAKASE,S.TERADA,Y.KO IDE,T.AIBA,T.NARITA, |
| Literature Reference Citation | CHEM.PHARM.BULL.,28,1954(1980) |
| Literature Reference DOI | 10.1248/cpb.28.1954 |
| Molecular Weight | 1151.350 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1040 |