| SpectraBase Compound ID | 6r6WqQxU0Y3 |
|---|---|
| InChI | InChI=1S/C42H66O20/c1-18(9-11-55-36(52)24-17-57-38(28-20(3)25(45)12-22(24)28)61-40-34(50)32(48)30(46)26(13-43)59-40)6-5-7-19(2)15-56-37(53)23-16-58-39(29-21(23)8-10-42(29,4)54)62-41-35(51)33(49)31(47)27(14-44)60-41/h16-22,25-35,38-41,43-51,54H,5-15H2,1-4H3/t18?,19?,20-,21?,22?,25+,26-,27-,28?,29?,30-,31-,32+,33+,34-,35-,38+,39+,40+,41+,42+/m0/s1 |
| InChIKey | RSYWNRWGWFOOFN-YZQDDKRHSA-N |
| Mol Weight | 891.0 g/mol |
| Molecular Formula | C42H66O20 |
| Exact Mass | 890.414745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6gbVmJRVXPA |
|---|---|
| Name | PRENAODOROSIDE B |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H66O20 |
| InChI | InChI=1S/C42H66O20/c1-18(9-11-55-36(52)24-17-57-38(28-20(3)25(45)12-22(24)28)61-40-34(50)32(48)30(46)26(13-43)59-40)6-5-7-19(2)15-56-37(53)23-16-58-39(29-21(23)8-10-42(29,4)54)62-41-35(51)33(49)31(47)27(14-44)60-41/h16-22,25-35,38-41,43-51,54H,5-15H2,1-4H3/t18?,19?,20-,21?,22?,25+,26-,27-,28?,29?,30-,31-,32+,33+,34-,35-,38+,39+,40+,41+,42+/m0/s1 |
| InChIKey | RSYWNRWGWFOOFN-YZQDDKRHSA-N |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |