| SpectraBase Compound ID | 5r6bSa9jvju |
|---|---|
| InChI | InChI=1S/C63H100O28/c1-11-12-36(69)86-48-27(4)84-56(50(45(48)78)89-54-44(77)41(74)47(26(3)83-54)87-52-46(79)49(31(67)23-81-52)88-53-42(75)39(72)37(70)25(2)82-53)91-57(80)63-18-17-58(5,6)19-29(63)28-13-14-34-59(7)20-30(66)51(90-55-43(76)40(73)38(71)32(22-64)85-55)60(8,24-65)33(59)15-16-61(34,9)62(28,10)21-35(63)68/h11-13,25-27,29-35,37-56,64-68,70-79H,14-24H2,1-10H3/b12-11+/t25-,26+,27-,29+,30+,31+,32-,33-,34-,35-,37-,38-,39+,40+,41+,42+,43-,44-,45+,46+,47+,48+,49-,50-,51+,52-,53-,54+,55+,56+,59+,60+,61-,62-,63-/m1/s1 |
| InChIKey | OHLVEGAMPONGSN-UAQRUKBESA-N |
| Mol Weight | 1305.5 g/mol |
| Molecular Formula | C63H100O28 |
| Exact Mass | 1304.640113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6gOdR7ZZgYT |
|---|---|
| Name | BELLISSAPONIN-BA2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H100O28 |
| InChI | InChI=1S/C63H100O28/c1-11-12-36(69)86-48-27(4)84-56(50(45(48)78)89-54-44(77)41(74)47(26(3)83-54)87-52-46(79)49(31(67)23-81-52)88-53-42(75)39(72)37(70)25(2)82-53)91-57(80)63-18-17-58(5,6)19-29(63)28-13-14-34-59(7)20-30(66)51(90-55-43(76)40(73)38(71)32(22-64)85-55)60(8,24-65)33(59)15-16-61(34,9)62(28,10)21-35(63)68/h11-13,25-27,29-35,37-56,64-68,70-79H,14-24H2,1-10H3/b12-11+/t25-,26+,27-,29+,30+,31+,32-,33-,34-,35-,37-,38-,39+,40+,41+,42+,43-,44-,45+,46+,47+,48+,49-,50-,51+,52-,53-,54+,55+,56+,59+,60+,61-,62-,63-/m1/s1 |
| InChIKey | OHLVEGAMPONGSN-UAQRUKBESA-N |
| Literature Reference Author | T.SCHOEPKE,V.WRAY,B.RZAZEWSKA,K.HILLER |
| Literature Reference Citation | PHYTOCHEM.,30,627(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)83740-C |
| Molecular Weight | 1305.470 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU32303 |