| SpectraBase Compound ID | 3O7ikh7xAMW |
|---|---|
| InChI | InChI=1S/C39H50O23/c1-16(40)49-14-28-31(54-19(4)43)33(56-21(6)45)35(58-23(8)47)38(60-28)52-13-25-12-51-37(26-10-11-27(30(25)26)53-18(3)42)62-39-36(59-24(9)48)34(57-22(7)46)32(55-20(5)44)29(61-39)15-50-17(2)41/h10-12,26-39H,13-15H2,1-9H3/t26?,27?,28-,29-,30?,31-,32-,33-,34+,35-,36-,37?,38?,39?/m0/s1 |
| InChIKey | MPIKLSMYIRZMHP-LBBILTGESA-N |
| Mol Weight | 886.8 g/mol |
| Molecular Formula | C39H50O23 |
| Exact Mass | 886.274288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EhyceA8A6aj |
|---|---|
| Name | Peracetyl-allosyl-decaloside |
| CAS Registry Number | 78854-47-4 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C39H50O23 |
| InChI | InChI=1S/C39H50O23/c1-16(40)49-14-28-31(54-19(4)43)33(56-21(6)45)35(58-23(8)47)38(60-28)52-13-25-12-51-37(26-10-11-27(30(25)26)53-18(3)42)62-39-36(59-24(9)48)34(57-22(7)46)32(55-20(5)44)29(61-39)15-50-17(2)41/h10-12,26-39H,13-15H2,1-9H3/t26?,27?,28-,29-,30?,31-,32-,33-,34+,35-,36-,37?,38?,39?/m0/s1 |
| InChIKey | MPIKLSMYIRZMHP-LBBILTGESA-N |
| Literature Reference | S. Jensen, C. Mikkelsen, Phytochem. 20, 71 (1980). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |