SpectraBase Compound ID | 37brI141u4x |
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InChI | InChI=1S/C36H46O11/c1-10-18(2)33(41)47-27-15-26(44-20(4)38)34(6,17-37)31-30(45-21(5)39)32-36(8,25(35(27,31)7)14-28(40)42-9)29-19(3)23(13-24(29)46-32)22-11-12-43-16-22/h10-12,16-17,23-27,30-32H,13-15H2,1-9H3/b18-10+/t23-,24-,25-,26-,27+,30-,31+,32-,34-,35+,36-/m1/s1 |
InChIKey | JNBSJMPPKYBATA-ISGCIXFTSA-N |
Mol Weight | 654.8 g/mol |
Molecular Formula | C36H46O11 |
Exact Mass | 654.304012 g/mol |
SpectraBase Spectrum ID | 31iMmJJ5gu7 |
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Name | 3-O-ACETYL-OHCHINOLAL |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C36H46O11 |
InChI | InChI=1S/C36H46O11/c1-10-18(2)33(41)47-27-15-26(44-20(4)38)34(6,17-37)31-30(45-21(5)39)32-36(8,25(35(27,31)7)14-28(40)42-9)29-19(3)23(13-24(29)46-32)22-11-12-43-16-22/h10-12,16-17,23-27,30-32H,13-15H2,1-9H3/b18-10+/t23-,24-,25-,26-,27+,30-,31+,32-,34-,35+,36-/m1/s1 |
InChIKey | JNBSJMPPKYBATA-ISGCIXFTSA-N |
Literature Reference Author | J.B.ZHOU,Y.MINAMI,K.TADERA,M.NAKATANI |
Literature Reference Citation | PHYTOCHEM.,46,911(1997) |
Literature Reference DOI | 10.1016/s0031-9422(97)00378-6 |
Molecular Weight | 654.755 g/mol |
Sample ID | 45458 |
Solvent | CDCl3 |