| SpectraBase Compound ID | BJPXMN35OAi |
|---|---|
| InChI | InChI=1S/C49H84O19/c1-22(2)49(21-62-41-38(60)35(57)32(54)25(18-50)63-41)16-15-48(8,68-49)31-23-9-10-29-45(5)13-12-30(44(3,4)28(45)11-14-46(29,6)47(23,7)17-24(31)53)66-43-40(37(59)34(56)27(20-52)65-43)67-42-39(61)36(58)33(55)26(19-51)64-42/h22-43,50-61H,9-21H2,1-8H3/t23-,24-,25-,26-,27-,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,45+,46-,47-,48+,49-/m1/s1 |
| InChIKey | OISDMADOIFBDNZ-XIWGVEJXSA-N |
| Mol Weight | 977.2 g/mol |
| Molecular Formula | C49H84O19 |
| Exact Mass | 976.56068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IfUxqGmI9yu |
|---|---|
| Name | OPERCULINOSIDE_B;(20-S,24-S)-20,24-EPOXY-24-BETA-D-GLUCOPYRANOSYLOXYMETHYL-3-BETA,16-ALPHA-DIHYDROXYDAMMARANE_ |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H84O19 |
| InChI | InChI=1S/C49H84O19/c1-22(2)49(21-62-41-38(60)35(57)32(54)25(18-50)63-41)16-15-48(8,68-49)31-23-9-10-29-45(5)13-12-30(44(3,4)28(45)11-14-46(29,6)47(23,7)17-24(31)53)66-43-40(37(59)34(56)27(20-52)65-43)67-42-39(61)36(58)33(55)26(19-51)64-42/h22-43,50-61H,9-21H2,1-8H3/t23-,24-,25-,26-,27-,28+,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,45+,46-,47-,48+,49-/m1/s1 |
| InChIKey | OISDMADOIFBDNZ-XIWGVEJXSA-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 | 977.195 g/mol |
| Sample ID | 39183 |
| Solvent | C5D5N |