| SpectraBase Compound ID | IpiG1NJpjGH |
|---|---|
| InChI | InChI=1S/C42H66O20/c1-19(10-13-57-41(3)11-8-21-23(35(51)52)17-55-37(27(21)41)61-39-33(49)31(47)29(45)25(14-43)59-39)6-5-7-20(2)16-58-42(4)12-9-22-24(36(53)54)18-56-38(28(22)42)62-40-34(50)32(48)30(46)26(15-44)60-40/h17-22,25-34,37-40,43-50H,5-16H2,1-4H3,(H,51,52)(H,53,54)/t19?,20?,21?,22?,25-,26-,27?,28?,29-,30-,31+,32+,33-,34-,37+,38+,39+,40+,41+,42+/m0/s1 |
| InChIKey | HXBJSHFYRKSGJQ-OQQSOVRPSA-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 | F82mOYDxoyi |
|---|---|
| Name | PRENAODOROSIDE A |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H66O20 |
| InChI | InChI=1S/C42H66O20/c1-19(10-13-57-41(3)11-8-21-23(35(51)52)17-55-37(27(21)41)61-39-33(49)31(47)29(45)25(14-43)59-39)6-5-7-20(2)16-58-42(4)12-9-22-24(36(53)54)18-56-38(28(22)42)62-40-34(50)32(48)30(46)26(15-44)60-40/h17-22,25-34,37-40,43-50H,5-16H2,1-4H3,(H,51,52)(H,53,54)/t19?,20?,21?,22?,25-,26-,27?,28?,29-,30-,31+,32+,33-,34-,37+,38+,39+,40+,41+,42+/m0/s1 |
| InChIKey | HXBJSHFYRKSGJQ-OQQSOVRPSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |