| SpectraBase Compound ID | AITRwNqP6DC |
|---|---|
| InChI | InChI=1S/C51H80O17/c1-3-5-13-21-36-33(25-27-38(36)53)19-15-9-7-11-17-23-42(55)63-30-35(66-43(56)24-18-12-8-10-16-20-34-26-28-39(54)37(34)22-14-6-4-2)31-64-50-49(62)47(60)45(58)41(68-50)32-65-51-48(61)46(59)44(57)40(29-52)67-51/h5-6,13-14,25-28,33-37,40-41,44-52,57-62H,3-4,7-12,15-24,29-32H2,1-2H3/b13-5-,14-6-/t33?,34?,35?,36?,37?,40-,41+,44+,45-,46+,47-,48-,49+,50+,51+/m0/s1 |
| InChIKey | JFTWMYLCKKDOGZ-OHOHRCPVSA-N |
| Mol Weight | 965.2 g/mol |
| Molecular Formula | C51H80O17 |
| Exact Mass | 964.539551 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EmQhNO7CQFa |
|---|---|
| Name | ARABIDOPSIDE-D |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H80O17 |
| InChI | InChI=1S/C51H80O17/c1-3-5-13-21-36-33(25-27-38(36)53)19-15-9-7-11-17-23-42(55)63-30-35(66-43(56)24-18-12-8-10-16-20-34-26-28-39(54)37(34)22-14-6-4-2)31-64-50-49(62)47(60)45(58)41(68-50)32-65-51-48(61)46(59)44(57)40(29-52)67-51/h5-6,13-14,25-28,33-37,40-41,44-52,57-62H,3-4,7-12,15-24,29-32H2,1-2H3/b13-5-,14-6-/t33?,34?,35?,36?,37?,40-,41+,44+,45-,46+,47-,48-,49+,50+,51+/m0/s1 |
| InChIKey | JFTWMYLCKKDOGZ-OHOHRCPVSA-N |
| Literature Reference Author | Y.HISAMATSU,N.GOTO,M.SEKIGUCHI,K.HASEGAWA,H.SHIGEMORI |
| Literature Reference Citation | J.NAT.PROD.,68,600(2005) |
| Literature Reference DOI | 10.1021/np0495938 |
| Molecular Weight | 965.186 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ9384 |