| SpectraBase Compound ID | 52H0AnbYbrU |
|---|---|
| InChI | InChI=1S/C44H64O23/c1-7-20-23(26(39(56)58-5)16-61-41(20)66-43-37(54)35(52)33(50)29(13-46)64-43)10-31(48)60-15-25-19(4)28(9-22(25)18(3)12-45)63-32(49)11-24-21(8-2)42(62-17-27(24)40(57)59-6)67-44-38(55)36(53)34(51)30(14-47)65-44/h7-8,16-19,22-25,28-30,33-38,41-47,50-55H,9-15H2,1-6H3/b20-7-,21-8+/t18-,19-,22+,23+,24+,25-,28+,29+,30+,33+,34+,35-,36-,37+,38+,41+,42+,43-,44-/m1/s1 |
| InChIKey | PEVWIGNKOSRYCF-VJVJSVAGSA-N |
| Mol Weight | 961.0 g/mol |
| Molecular Formula | C44H64O23 |
| Exact Mass | 960.383838 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IizXiS9th4r |
|---|---|
| Name | JASNUDIFLOSIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H64O23 |
| InChI | InChI=1S/C44H64O23/c1-7-20-23(26(39(56)58-5)16-61-41(20)66-43-37(54)35(52)33(50)29(13-46)64-43)10-31(48)60-15-25-19(4)28(9-22(25)18(3)12-45)63-32(49)11-24-21(8-2)42(62-17-27(24)40(57)59-6)67-44-38(55)36(53)34(51)30(14-47)65-44/h7-8,16-19,22-25,28-30,33-38,41-47,50-55H,9-15H2,1-6H3/b20-7-,21-8+/t18-,19-,22+,23+,24+,25-,28+,29+,30+,33+,34+,35-,36-,37+,38+,41+,42+,43-,44-/m1/s1 |
| InChIKey | PEVWIGNKOSRYCF-VJVJSVAGSA-N |
| Literature Reference Author | T.TANAHASHI,Y.TAKENAKA,N.NAGAKURA,T.NISHI |
| Literature Reference Citation | J.NAT.PROD.,62,1311(1999) |
| Literature Reference DOI | 10.1021/np9901175 |
| Molecular Weight | 960.978 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS21930 |