| SpectraBase Compound ID | 4RkAcvw7yu2 |
|---|---|
| InChI | InChI=1S/C42H70O11/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(46)52-32-23-24-41(8,53-30(6)45)38-35-34(27(2)3)37(49-28(4)43)39(50-29(5)44)42(26-48-42)36(35)31(51-38)25-40(32,7)47/h27,31-32,34-39,47H,9-26H2,1-8H3/t31-,32+,34-,35-,36-,37+,38-,39+,40+,41-,42+/m1/s1 |
| InChIKey | CRUQATXTOIHPSF-FXFUWBOQSA-N |
| Mol Weight | 751.0 g/mol |
| Molecular Formula | C42H70O11 |
| Exact Mass | 750.491813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5AyEJknKXHx |
|---|---|
| Name | KLYMOLLIN_G |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70O11 |
| InChI | InChI=1S/C42H70O11/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(46)52-32-23-24-41(8,53-30(6)45)38-35-34(27(2)3)37(49-28(4)43)39(50-29(5)44)42(26-48-42)36(35)31(51-38)25-40(32,7)47/h27,31-32,34-39,47H,9-26H2,1-8H3/t31-,32+,34-,35-,36-,37+,38-,39+,40+,41-,42+/m1/s1 |
| InChIKey | CRUQATXTOIHPSF-FXFUWBOQSA-N |
| Literature Reference Author | F.J.HSU,B.W.CHEN,Z.H.WEN,C.Y.HUANG,C.F.DAI,J.H.SU,Y.C.WU,J.H .SHEU |
| Literature Reference Citation | J.NAT.PROD.,74,2467(2011) |
| Literature Reference DOI | 10.1021/np200589n |
| Molecular Weight | 751.011 g/mol |
| Sample ID | 39600 |
| Solvent | CDCl3 |