| SpectraBase Compound ID | 9FENX9DRX8r |
|---|---|
| InChI | InChI=1S/C50H84O21/c1-9-12-18-21-30-22-19-16-14-13-15-17-20-23-32(52)66-43-40(69-47-38(58)37(57)39(28(7)62-47)67-45(59)25(4)10-2)29(8)63-50(44(43)68-46(60)26(5)11-3)71-42-36(56)34(54)31(24-51)65-49(42)70-41-35(55)33(53)27(6)61-48(41)64-30/h10,26-31,33-44,47-51,53-58H,9,11-24H2,1-8H3/b25-10+/t26-,27+,28+,29-,30-,31+,33-,34+,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,47-,48-,49-,50-/m0/s1 |
| InChIKey | DGRGOOVTCYVEDQ-IYATZFNZSA-N |
| Mol Weight | 1021.2 g/mol |
| Molecular Formula | C50H84O21 |
| Exact Mass | 1020.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DDEImi0OME5 |
|---|---|
| Name | SCAMMONIN_VII;(11-S)-JALAPINOLIC_ACID_11-O-4-O-TIGLYL-BETA-D-QUINOVOPYRANOSYL-(1->4)-O-2-O-(2-S)-2-METHYLBUTYRYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O |
| Compound Number | I |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H84O21 |
| InChI | InChI=1S/C50H84O21/c1-9-12-18-21-30-22-19-16-14-13-15-17-20-23-32(52)66-43-40(69-47-38(58)37(57)39(28(7)62-47)67-45(59)25(4)10-2)29(8)63-50(44(43)68-46(60)26(5)11-3)71-42-36(56)34(54)31(24-51)65-49(42)70-41-35(55)33(53)27(6)61-48(41)64-30/h10,26-31,33-44,47-51,53-58H,9,11-24H2,1-8H3/b25-10+/t26-,27+,28+,29-,30-,31+,33-,34+,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,47-,48-,49-,50-/m0/s1 |
| InChIKey | DGRGOOVTCYVEDQ-IYATZFNZSA-N |
| Literature Reference Author | N.NODA,H.KOGETSU,T.KAWASAKI,K.MIYAHARA |
| Literature Reference Citation | PHYTOCHEM.,31,2761(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83626-A |
| Molecular Weight | 1021.204 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ21433 |