| SpectraBase Compound ID | 1NyPwh6oHPZ |
|---|---|
| InChI | InChI=1S/C61H92O14/c1-32-17-23-59(46(66)67)27-25-52(5)34(42(59)57(32,10)72)13-15-38-50(3)29-36(63)44(65)56(9,40(50)19-21-54(38,52)7)48(70)75-45-37(64)30-51(4)39-16-14-35-43-58(11,73)33(2)18-24-60(43,47(68)69)28-26-53(35,6)55(39,8)22-20-41(51)61(45,31-62)49(71)74-12/h13-14,32-33,36-45,62-65,72-73H,15-31H2,1-12H3,(H,66,67)(H,68,69)/t32-,33+,36-,37+,38?,39?,40?,41?,42?,43?,44+,45+,50-,51+,52-,53+,54-,55+,56+,57-,58+,59+,60-,61+/m1/s1 |
| InChIKey | AZSNWVYXNWMHDK-PVOMBDEXSA-N |
| Mol Weight | 1049.4 g/mol |
| Molecular Formula | C61H92O14 |
| Exact Mass | 1048.648708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AwC63x3KMvP |
|---|---|
| Name | COREANOGENOIC-ACID-METHYLESTER |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H92O14 |
| InChI | InChI=1S/C61H92O14/c1-32-17-23-59(46(66)67)27-25-52(5)34(42(59)57(32,10)72)13-15-38-50(3)29-36(63)44(65)56(9,40(50)19-21-54(38,52)7)48(70)75-45-37(64)30-51(4)39-16-14-35-43-58(11,73)33(2)18-24-60(43,47(68)69)28-26-53(35,6)55(39,8)22-20-41(51)61(45,31-62)49(71)74-12/h13-14,32-33,36-45,62-65,72-73H,15-31H2,1-12H3,(H,66,67)(H,68,69)/t32-,33+,36-,37+,38?,39?,40?,41?,42?,43?,44+,45+,50-,51+,52-,53+,54-,55+,56+,57-,58+,59+,60-,61+/m1/s1 |
| InChIKey | AZSNWVYXNWMHDK-PVOMBDEXSA-N |
| Literature Reference Author | K.OHTANI,C.MIYAJIMA,T.TAKAHASI,R.KASAI,O.TANAKA,D.R.HAHN,N.N ARUHASHI |
| Literature Reference Citation | PHYTOCHEM.,29,3275(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80199-Q |
| Molecular Weight | 1049.393 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWKP6804 |