| SpectraBase Compound ID | IXtM3d4O28G |
|---|---|
| InChI | InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26?,27?,28?,29?,30+,31+,32?,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,43+,44+,45+,46-,47-,48?,49-,50-,51+/m0/s1 |
| InChIKey | LVTJOONKWUXEFR-CGHJFOCWSA-N |
| Mol Weight | 1049.2 g/mol |
| Molecular Formula | C51H84O22 |
| Exact Mass | 1048.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9XbLnYIYPoz |
|---|---|
| Name | PROTODIOSCIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H84O22 |
| InChI | InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26?,27?,28?,29?,30+,31+,32?,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,43+,44+,45+,46-,47-,48?,49-,50-,51+/m0/s1 |
| InChIKey | LVTJOONKWUXEFR-CGHJFOCWSA-N |
| Literature Reference Author | K.HU,A.DONG,X.YAO,H.KOBAYASHI,S.IWASAKI |
| Literature Reference Citation | PLANTA.MED.,63,161(1997) |
| Literature Reference DOI | 10.1055/s-2006-957636 |
| Molecular Weight | 1049.215 g/mol |
| Solvent | C5D5N |
| Source File Reference | UIAP907 |