SpectraBase Compound ID | bH0156vJPH |
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InChI | InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11,13,16-17,19,26-27,39-40H,3,12,14-15,18,20-21H2,1-2,4-10H3/t26-,27+,37+,38+/m0/s1 |
InChIKey | RALMOKVINHMHFN-MWVHARJDSA-N |
Mol Weight | 602.8 g/mol |
Molecular Formula | C38H50O6 |
Exact Mass | 602.360739 g/mol |
SpectraBase Spectrum ID | 2imDLQCIhk1 |
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Name | 2-CYCLOXANTHOCHYMOL |
Compound Number | 2A |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C38H50O6 |
InChI | InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11,13,16-17,19,26-27,39-40H,3,12,14-15,18,20-21H2,1-2,4-10H3/t26-,27+,37+,38+/m0/s1 |
InChIKey | RALMOKVINHMHFN-MWVHARJDSA-N |
Literature Reference Author | D.ROUX,H.A.HADI,S.THORET,D.GUENARD,O.THOISON,M.PAIS,T.SEVENE T |
Literature Reference Citation | J.NAT.PROD.,63,1070(2000) |
Literature Reference DOI | 10.1021/np0000872 |
Molecular Weight | 602.811 g/mol |
Solvent | CDCl3 |