SpectraBase Compound ID | 78LAI58f2PE |
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InChI | InChI=1S/C36H58O9/c1-31(2)14-15-36(30(43)45-29-28(42)27(41)26(40)21(18-37)44-29)20(16-31)19-8-9-23-33(5)12-11-24(38)32(3,4)22(33)10-13-34(23,6)35(19,7)17-25(36)39/h8,20-29,37-42H,9-18H2,1-7H3/t20-,21?,22?,23?,24?,25-,26?,27?,28?,29?,33?,34?,35+,36+/m1/s1 |
InChIKey | VUBCDVLKKVVOTB-YBOIVNOKSA-N |
Mol Weight | 634.9 g/mol |
Molecular Formula | C36H58O9 |
Exact Mass | 634.408083 g/mol |
SpectraBase Spectrum ID | ELitdUQcA42 |
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Name | Rotundioside-A-1 |
Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C36H58O9 |
InChI | InChI=1S/C36H58O9/c1-31(2)14-15-36(30(43)45-29-28(42)27(41)26(40)21(18-37)44-29)20(16-31)19-8-9-23-33(5)12-11-24(38)32(3,4)22(33)10-13-34(23,6)35(19,7)17-25(36)39/h8,20-29,37-42H,9-18H2,1-7H3/t20-,21?,22?,23?,24?,25-,26?,27?,28?,29?,33?,34?,35+,36+/m1/s1 |
InChIKey | VUBCDVLKKVVOTB-YBOIVNOKSA-N |
Instrument Name | SF = 100 MHz |
Literature Reference | Chem. Pharm. Bull. 33, 3715 (1985). |
NMR Standard | not reported |
Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
Solvent | Pyridine-D5 |