SpectraBase Compound ID | Kc9JxDpylRF |
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InChI | InChI=1S/C31H50O3/c1-18(2)20(4)22(32)15-19(3)21-9-11-29(8)26-23(33)16-24-27(5,6)25(34)10-12-30(24)17-31(26,30)14-13-28(21,29)7/h19-24,26,32-33H,1,9-17H2,2-8H3/t19-,20?,21-,22?,23+,24+,26+,28-,29+,30-,31+/m1/s1 |
InChIKey | QUPJGITVAPYCDP-XFMQLQBYSA-N |
Mol Weight | 470.7 g/mol |
Molecular Formula | C31H50O3 |
Exact Mass | 470.375995 g/mol |
SpectraBase Spectrum ID | 56cA0wrA1xT |
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Name | COMBRETANONE_F |
Compound Number | 6 |
Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C31H50O3 |
InChI | InChI=1S/C31H50O3/c1-18(2)20(4)22(32)15-19(3)21-9-11-29(8)26-23(33)16-24-27(5,6)25(34)10-12-30(24)17-31(26,30)14-13-28(21,29)7/h19-24,26,32-33H,1,9-17H2,2-8H3/t19-,20?,21-,22?,23+,24+,26+,28-,29+,30-,31+/m1/s1 |
InChIKey | QUPJGITVAPYCDP-XFMQLQBYSA-N |
Literature Reference Author | K.TOUME,T.NAKAZAWA,T.OHTSUKI,M.A.ARAI,T.KOYANO,T.KOWITHAYAKO RN,M.ISHIBASHI |
Literature Reference Citation | J.NAT.PROD.,74,249(2011) |
Literature Reference DOI | 10.1021/np100784t |
Molecular Weight | 470.736 g/mol |
Sample ID | 37496 |
Solvent | CDCl3 |