| SpectraBase Compound ID | IMtYJ7AipOx |
|---|---|
| InChI | InChI=1S/C48H82O19/c1-43(2)26-11-15-46(6)27(45(26,5)14-12-28(43)64-42-39(36(58)33(55)25(20-51)63-42)65-40-37(59)34(56)31(53)23(18-49)61-40)10-9-21-30(22(52)17-47(21,46)7)48(8)16-13-29(66-48)44(3,4)67-41-38(60)35(57)32(54)24(19-50)62-41/h21-42,49-60H,9-20H2,1-8H3/t21-,22-,23-,24-,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+,45+,46-,47-,48?/m1/s1 |
| InChIKey | OHBOIROQVADHLU-SLAHWPPMSA-N |
| Mol Weight | 963.2 g/mol |
| Molecular Formula | C48H82O19 |
| Exact Mass | 962.54503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ft7patlpzeM |
|---|---|
| Name | OPERCULINOSIDE_D;(20-S,24-S)-20,24-EPOXY--25-BETA-D-GLUCOPYRANOSYLOXY-3-BETA,16-ALPHA-DIHYDROXYDAMMARANE_3-O-BETA-D-GLUCOPYRANOSYL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H82O19 |
| InChI | InChI=1S/C48H82O19/c1-43(2)26-11-15-46(6)27(45(26,5)14-12-28(43)64-42-39(36(58)33(55)25(20-51)63-42)65-40-37(59)34(56)31(53)23(18-49)61-40)10-9-21-30(22(52)17-47(21,46)7)48(8)16-13-29(66-48)44(3,4)67-41-38(60)35(57)32(54)24(19-50)62-41/h21-42,49-60H,9-20H2,1-8H3/t21-,22-,23-,24-,25-,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+,45+,46-,47-,48?/m1/s1 |
| InChIKey | OHBOIROQVADHLU-SLAHWPPMSA-N |
| Literature Reference Author | W.DING,F.ZENG,L.XU,Y.CHEN,Y.WANG,X.WEI |
| Literature Reference Citation | J.NAT.PROD.,74,1868(2011) |
| Literature Reference DOI | 10.1021/np200274m |
| Molecular Weight | 963.168 g/mol |
| Sample ID | 39185 |
| Solvent | C5D5N |