| SpectraBase Compound ID | 3ZXDGitQ7Ua |
|---|---|
| InChI | InChI=1S/C39H50O24/c1-14(40)49-12-24-28(53-16(3)42)32(56-19(6)45)35(58-21(8)47)38(60-24)52-11-23-10-51-37(27-26(23)30(55-18(5)44)34-31(27)62-34)63-39-36(59-22(9)48)33(57-20(7)46)29(54-17(4)43)25(61-39)13-50-15(2)41/h10,24-39H,11-13H2,1-9H3/t24-,25-,26?,27?,28-,29-,30?,31?,32-,33+,34?,35-,36-,37?,38?,39?/m0/s1 |
| InChIKey | SDDVVYOGDYSLCT-KVURHJKBSA-N |
| Mol Weight | 902.8 g/mol |
| Molecular Formula | C39H50O24 |
| Exact Mass | 902.269202 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BNJeAu35qsY |
|---|---|
| Name | Peracetyl-allosyl-epoxy-decaloside |
| CAS Registry Number | 78854-45-2 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C39H50O24 |
| InChI | InChI=1S/C39H50O24/c1-14(40)49-12-24-28(53-16(3)42)32(56-19(6)45)35(58-21(8)47)38(60-24)52-11-23-10-51-37(27-26(23)30(55-18(5)44)34-31(27)62-34)63-39-36(59-22(9)48)33(57-20(7)46)29(54-17(4)43)25(61-39)13-50-15(2)41/h10,24-39H,11-13H2,1-9H3/t24-,25-,26?,27?,28-,29-,30?,31?,32-,33+,34?,35-,36-,37?,38?,39?/m0/s1 |
| InChIKey | SDDVVYOGDYSLCT-KVURHJKBSA-N |
| Literature Reference | S. Jensen, C. Mikkelsen, Phytochem. 20, 71 (1980). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |