| SpectraBase Compound ID | EqXBaYs6lsc |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-21-29(51)31(53)34(56)39(63-21)66-37-24(19-49)64-38(36(58)33(37)55)62-20-25-30(52)32(54)35(57)40(65-25)67-42(61)48-16-14-44(4,41(59)60)18-23(48)22-8-9-27-45(5)12-11-28(50)43(2,3)26(45)10-13-47(27,7)46(22,6)15-17-48/h8,21,23-40,49-58H,9-20H2,1-7H3,(H,59,60)/t21-,23?,24-,25-,26?,27?,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38?,39+,40+,44-,45+,46+,47-,48+/m0/s1 |
| InChIKey | JJXSXIOEXNGBTI-OZHKPWIUSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1McKINjd4Js |
|---|---|
| Name | SPINOSIDE D1 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-21-29(51)31(53)34(56)39(63-21)66-37-24(19-49)64-38(36(58)33(37)55)62-20-25-30(52)32(54)35(57)40(65-25)67-42(61)48-16-14-44(4,41(59)60)18-23(48)22-8-9-27-45(5)12-11-28(50)43(2,3)26(45)10-13-47(27,7)46(22,6)15-17-48/h8,21,23-40,49-58H,9-20H2,1-7H3,(H,59,60)/t21-,23?,24-,25-,26?,27?,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38?,39+,40+,44-,45+,46+,47-,48+/m0/s1 |
| InChIKey | JJXSXIOEXNGBTI-OZHKPWIUSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |