| SpectraBase Compound ID | 3Dsup6blym7 |
|---|---|
| InChI | InChI=1S/C49H76O17/c1-3-5-11-19-34-31(23-25-36(34)51)17-13-8-7-9-15-21-40(53)61-28-33(64-41(54)22-16-10-14-18-32-24-26-37(52)35(32)20-12-6-4-2)29-62-48-47(60)45(58)43(56)39(66-48)30-63-49-46(59)44(57)42(55)38(27-50)65-49/h5-6,11-12,23-26,31-35,38-39,42-50,55-60H,3-4,7-10,13-22,27-30H2,1-2H3/b11-5-,12-6-/t31?,32?,33?,34?,35?,38-,39+,42+,43-,44+,45-,46-,47+,48+,49+/m0/s1 |
| InChIKey | GXTGTCSHGJLVPW-KUZHZUENSA-N |
| Mol Weight | 937.1 g/mol |
| Molecular Formula | C49H76O17 |
| Exact Mass | 936.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8K3X6bK6w0 |
|---|---|
| Name | ARABIDOPSIDE-C |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H76O17 |
| InChI | InChI=1S/C49H76O17/c1-3-5-11-19-34-31(23-25-36(34)51)17-13-8-7-9-15-21-40(53)61-28-33(64-41(54)22-16-10-14-18-32-24-26-37(52)35(32)20-12-6-4-2)29-62-48-47(60)45(58)43(56)39(66-48)30-63-49-46(59)44(57)42(55)38(27-50)65-49/h5-6,11-12,23-26,31-35,38-39,42-50,55-60H,3-4,7-10,13-22,27-30H2,1-2H3/b11-5-,12-6-/t31?,32?,33?,34?,35?,38-,39+,42+,43-,44+,45-,46-,47+,48+,49+/m0/s1 |
| InChIKey | GXTGTCSHGJLVPW-KUZHZUENSA-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 | 937.132 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ9383 |