| SpectraBase Compound ID | 33kSCeP4vmg |
|---|---|
| InChI | InChI=1S/C42H66O13/c1-19-11-16-41(37(51)55-35-33(48)31(46)29(44)22(4)53-35)17-18-42(36(49)50)23(27(41)20(19)2)9-10-25-39(7)14-13-26(38(5,6)24(39)12-15-40(25,42)8)54-34-32(47)30(45)28(43)21(3)52-34/h9,19-22,24-35,43-48H,10-18H2,1-8H3,(H,49,50)/t19-,20+,21-,22-,24?,25?,26+,27?,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m0/s1 |
| InChIKey | GCTHJJODZWGWQS-UEBAPNAXSA-N |
| Mol Weight | 779.0 g/mol |
| Molecular Formula | C42H66O13 |
| Exact Mass | 778.450342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMTZHmY6JqU |
|---|---|
| Name | 3B-O-B-D-QUINOVOPYRANOSYLQUINOVIC ACID (28->1) QUINOVOPYRANOSYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H66O13 |
| InChI | InChI=1S/C42H66O13/c1-19-11-16-41(37(51)55-35-33(48)31(46)29(44)22(4)53-35)17-18-42(36(49)50)23(27(41)20(19)2)9-10-25-39(7)14-13-26(38(5,6)24(39)12-15-40(25,42)8)54-34-32(47)30(45)28(43)21(3)52-34/h9,19-22,24-35,43-48H,10-18H2,1-8H3,(H,49,50)/t19-,20+,21-,22-,24?,25?,26+,27?,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m0/s1 |
| InChIKey | GCTHJJODZWGWQS-UEBAPNAXSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |