| SpectraBase Compound ID | KhCAW16swjU |
|---|---|
| InChI | InChI=1S/C42H68O13/c1-37(2)14-16-42(36(51)55-35-33(50)31(48)29(46)24(54-35)20-52-34-32(49)30(47)28(45)23(19-43)53-34)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(44)38(3,4)25(39)10-13-41(26,40)7/h8,22-35,43-50H,9-20H2,1-7H3/t22-,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,39?,40+,41?,42-/m1/s1 |
| InChIKey | RCCBQPYIPSPBFI-SQSSYNMOSA-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 | 3cx1lTS6A26 |
|---|---|
| Name | Rotundioside-B-2 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C42H68O13 |
| InChI | InChI=1S/C42H68O13/c1-37(2)14-16-42(36(51)55-35-33(50)31(48)29(46)24(54-35)20-52-34-32(49)30(47)28(45)23(19-43)53-34)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(44)38(3,4)25(39)10-13-41(26,40)7/h8,22-35,43-50H,9-20H2,1-7H3/t22-,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,39?,40+,41?,42-/m1/s1 |
| InChIKey | RCCBQPYIPSPBFI-SQSSYNMOSA-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 |