| SpectraBase Compound ID | 1bu1nkzRKRY |
|---|---|
| InChI | InChI=1S/C42H68O13/c1-37(2)14-15-42(20-45)22(16-37)21-8-9-26-39(5)12-11-28(38(3,4)25(39)10-13-40(26,6)41(21,7)17-27(42)46)54-36-34(32(50)30(48)24(19-44)53-36)55-35-33(51)31(49)29(47)23(18-43)52-35/h8-9,23-36,43-51H,10-20H2,1-7H3/t23?,24?,25?,26?,27-,28?,29?,30?,31?,32?,33?,34?,35?,36?,39?,40?,41+,42+/m1/s1 |
| InChIKey | PTQNOJIONZKDPD-FLGYUBGHSA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C42H68O13 |
| Exact Mass | 780.465992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1C3XCwJ5XvL |
|---|---|
| Name | Corchorusin-D3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H68O13 |
| InChI | InChI=1S/C42H68O13/c1-37(2)14-15-42(20-45)22(16-37)21-8-9-26-39(5)12-11-28(38(3,4)25(39)10-13-40(26,6)41(21,7)17-27(42)46)54-36-34(32(50)30(48)24(19-44)53-36)55-35-33(51)31(49)29(47)23(18-43)52-35/h8-9,23-36,43-51H,10-20H2,1-7H3/t23?,24?,25?,26?,27-,28?,29?,30?,31?,32?,33?,34?,35?,36?,39?,40?,41+,42+/m1/s1 |
| InChIKey | PTQNOJIONZKDPD-FLGYUBGHSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Phytochem. 27, 1433 (1988). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |