| SpectraBase Compound ID | F6irclHsEfK |
|---|---|
| InChI | InChI=1S/C43H74O14/c1-21(2)43(20-46)16-15-42(8,57-43)29-22-9-10-27-39(5)13-12-28(38(3,4)26(39)11-14-40(27,6)41(22,7)17-23(29)47)55-37-35(33(51)31(49)25(19-45)54-37)56-36-34(52)32(50)30(48)24(18-44)53-36/h21-37,44-52H,9-20H2,1-8H3/t22-,23-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,39+,40-,41-,42+,43-/m1/s1 |
| InChIKey | WSPSRBVXDVGFMA-LJGRZBPHSA-N |
| Mol Weight | 815.1 g/mol |
| Molecular Formula | C43H74O14 |
| Exact Mass | 814.507857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C9Eckp8qqZt |
|---|---|
| Name | OPERCULINOSIDE_A;(20-S,24-S)-20,24-EPOXY-3-BETA,16-ALPHA-DIHYDROXY-24-HYDROXYMETHYLDAMMARANE_3-O-BETA-D-GLUCOPYRANOSYL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H74O14 |
| InChI | InChI=1S/C43H74O14/c1-21(2)43(20-46)16-15-42(8,57-43)29-22-9-10-27-39(5)13-12-28(38(3,4)26(39)11-14-40(27,6)41(22,7)17-23(29)47)55-37-35(33(51)31(49)25(19-45)54-37)56-36-34(52)32(50)30(48)24(18-44)53-36/h21-37,44-52H,9-20H2,1-8H3/t22-,23-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,39+,40-,41-,42+,43-/m1/s1 |
| InChIKey | WSPSRBVXDVGFMA-LJGRZBPHSA-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 | 815.052 g/mol |
| Sample ID | 39182 |
| Solvent | C5D5N |