SpectraBase Compound ID | 8hzD0uq7Omz |
---|---|
InChI | InChI=1S/C36H44O9/c1-8-21(2)31(38)43-28-27-29(41-23(4)37)36(45-34(27,5)6)22(3)19-20-26(42-32(39)24-15-11-9-12-16-24)35(36,7)30(28)44-33(40)25-17-13-10-14-18-25/h9-18,21-22,26-30H,8,19-20H2,1-7H3/t21?,22-,26+,27-,28-,29+,30-,35+,36-/m1/s1 |
InChIKey | QRMLGBWNPDNAHQ-HFABSQTCSA-N |
Mol Weight | 620.7 g/mol |
Molecular Formula | C36H44O9 |
Exact Mass | 620.298533 g/mol |
SpectraBase Spectrum ID | HnjENDHrBhl |
---|---|
Name | CELAFOLIN-D3 |
Compound Number | 11 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C36H44O9 |
InChI | InChI=1S/C36H44O9/c1-8-21(2)31(38)43-28-27-29(41-23(4)37)36(45-34(27,5)6)22(3)19-20-26(42-32(39)24-15-11-9-12-16-24)35(36,7)30(28)44-33(40)25-17-13-10-14-18-25/h9-18,21-22,26-30H,8,19-20H2,1-7H3/t21?,22-,26+,27-,28-,29+,30-,35+,36-/m1/s1 |
InChIKey | QRMLGBWNPDNAHQ-HFABSQTCSA-N |
Literature Reference Author | Y.TAKAISHI,S.OHSHIMA,K.NAKANO,T.TOMIMATSU,H.TOKUDA,H.NISHINO ,A.IWASHIMA |
Literature Reference Citation | J.NAT.PROD.,56,815(1993) |
Literature Reference DOI | 10.1021/np50096a003 |
Molecular Weight | 620.740 g/mol |
Solvent | CDCl3 |
Source File Reference | UWCS4116 |