| SpectraBase Compound ID | DZOPcFlRhaM |
|---|---|
| InChI | InChI=1S/C40H72O19/c1-6-7-13-16-23(17-14-11-9-8-10-12-15-18-24(41)42)56-40-36(28(46)26(44)20(3)53-40)59-39-33(51)30(48)35(22(5)55-39)58-38-32(50)29(47)34(21(4)54-38)57-37-31(49)27(45)25(43)19(2)52-37/h19-23,25-40,43-51H,6-18H2,1-5H3,(H,41,42)/t19-,20+,21+,22-,23-,25-,26-,27+,28-,29+,30-,31+,32-,33+,34+,35-,36+,37-,38+,39-,40-/m0/s1 |
| InChIKey | YWGSNDLKHDCUPK-KAAKVVFUSA-N |
| Mol Weight | 857.0 g/mol |
| Molecular Formula | C40H72O19 |
| Exact Mass | 856.46678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6F4Qz1WeWA8 |
|---|---|
| Name | OPERCULINIC_ACID_C |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H72O19 |
| InChI | InChI=1S/C40H72O19/c1-6-7-13-16-23(17-14-11-9-8-10-12-15-18-24(41)42)56-40-36(28(46)26(44)20(3)53-40)59-39-33(51)30(48)35(22(5)55-39)58-38-32(50)29(47)34(21(4)54-38)57-37-31(49)27(45)25(43)19(2)52-37/h19-23,25-40,43-51H,6-18H2,1-5H3,(H,41,42)/t19-,20+,21+,22-,23-,25-,26-,27+,28-,29+,30-,31+,32-,33+,34+,35-,36+,37-,38+,39-,40-/m0/s1 |
| InChIKey | YWGSNDLKHDCUPK-KAAKVVFUSA-N |
| Literature Reference Author | K.YOSHIKAWA,C.YAGI,H.HAMA,M.TANAKA,S.ARIHARA,T.HASHIMOTO |
| Literature Reference Citation | J.NAT.PROD.,73,1763(2010) |
| Literature Reference DOI | 10.1021/np100283t |
| Molecular Weight | 857.000 g/mol |
| Sample ID | 36113 |
| Solvent | C5D5N |