| SpectraBase Compound ID | 6YZV2cfW7Q4 |
|---|---|
| InChI | InChI=1S/C45H68O15/c1-26-12-14-32-42(3,24-46)16-10-18-44(32,5)30(26)22-59-37(41(54)57-9)29(21-35(49)50)39(52)60-25-43(4)17-11-19-45(6)31(27(2)13-15-33(43)45)23-58-36(40(53)56-8)28(20-34(47)48)38(51)55-7/h28-33,36-37,46H,1-2,10-25H2,3-9H3,(H,47,48)(H,49,50)/t28-,29+,30+,31+,32?,33?,36+,37+,42+,43+,44-,45-/m0/s1 |
| InChIKey | PCFMECNNYYMDRS-HFRVLVHDSA-N |
| Mol Weight | 849.0 g/mol |
| Molecular Formula | C45H68O15 |
| Exact Mass | 848.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kloapr4IeNf |
|---|---|
| Name | CRYPTOPORIC-ACID-E;CA-E |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H68O15 |
| InChI | InChI=1S/C45H68O15/c1-26-12-14-32-42(3,24-46)16-10-18-44(32,5)30(26)22-59-37(41(54)57-9)29(21-35(49)50)39(52)60-25-43(4)17-11-19-45(6)31(27(2)13-15-33(43)45)23-58-36(40(53)56-8)28(20-34(47)48)38(51)55-7/h28-33,36-37,46H,1-2,10-25H2,3-9H3,(H,47,48)(H,49,50)/t28-,29+,30+,31+,32?,33?,36+,37+,42+,43+,44-,45-/m0/s1 |
| InChIKey | PCFMECNNYYMDRS-HFRVLVHDSA-N |
| Literature Reference Author | Y.ASAKAWA,T.HASHIMOTO,Y.MIZUNO,M.TORI,Y.FUKAZAWA |
| Literature Reference Citation | PHYTOCHEM.,31,579(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)90042-O |
| Molecular Weight | 849.026 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU6111 |