| SpectraBase Compound ID | 5fW7KIc20LY |
|---|---|
| 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+/m1/s1 |
| InChIKey | DGRGOOVTCYVEDQ-VWAZGFTDSA-N |
| Mol Weight | 1021.2 g/mol |
| Molecular Formula | C50H84O21 |
| Exact Mass | 1020.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7fLOY9Lobl2 |
|---|---|
| Name | #1;SCAMMONIN-I;(11S)-HYDROXYHEXADECANOIC-ACID-11-[[O-6-DEOXY-4-O-(2E-METHYL-1-OXO-2-BUTENYL)-BETA-D-GLUCOPYRANOSYL-(1->4)-O-6-DEOXY-2-O-(2-METHYL-1-OXOBUTYL)-A |
| 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+/m1/s1 |
| InChIKey | DGRGOOVTCYVEDQ-VWAZGFTDSA-N |
| Literature Reference Author | N.NODA,H.KOGETSU,T.KAWASAKI,K.MIYAHARA |
| Literature Reference Citation | PHYTOCHEM.,29,3565(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85277-M |
| Molecular Weight | 1021.204 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU26875 |