| SpectraBase Compound ID | A6vsffgE63A |
|---|---|
| InChI | InChI=1S/C66H97NO21/c1-14-15-19-30-52-65(7,8)63(85-54(70)33-44-27-20-18-21-28-44)62(72)66(74,88-52)45(64(73)67-32-25-24-26-39(2)59(79-13)40(3)48-34-46(68)47(84-48)29-22-16-17-23-31-53(69)78-12)38-80-55-36-50(76-10)60(42(5)82-55)87-57-37-51(77-11)61(43(6)83-57)86-56-35-49(75-9)58(71)41(4)81-56/h14-31,40-43,45-52,55-63,68,71-72,74H,32-38H2,1-13H3,(H,67,73)/b15-14-,17-16+,25-24+,29-22+,30-19+,31-23+,39-26+/t40?,41-,42-,43+,45?,46?,47?,48?,49-,50-,51-,52-,55+,56-,57-,58+,59?,60+,61+,62+,63-,66+/m0/s1 |
| InChIKey | KWAUTRKMWSNERN-OIBSHADJSA-N |
| Mol Weight | 1240.5 g/mol |
| Molecular Formula | C66H97NO21 |
| Exact Mass | 1239.655309 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L8IlhSYgaPQ |
|---|---|
| Name | GANEFROMYCIN_BETA_METHYLESTER |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H97NO21 |
| InChI | InChI=1S/C66H97NO21/c1-14-15-19-30-52-65(7,8)63(85-54(70)33-44-27-20-18-21-28-44)62(72)66(74,88-52)45(64(73)67-32-25-24-26-39(2)59(79-13)40(3)48-34-46(68)47(84-48)29-22-16-17-23-31-53(69)78-12)38-80-55-36-50(76-10)60(42(5)82-55)87-57-37-51(77-11)61(43(6)83-57)86-56-35-49(75-9)58(71)41(4)81-56/h14-31,40-43,45-52,55-63,68,71-72,74H,32-38H2,1-13H3,(H,67,73)/b15-14-,17-16+,25-24+,29-22+,30-19+,31-23+,39-26+/t40?,41-,42-,43+,45?,46?,47?,48?,49-,50-,51-,52-,55+,56-,57-,58+,59?,60+,61+,62+,63-,66+/m0/s1 |
| InChIKey | KWAUTRKMWSNERN-OIBSHADJSA-N |
| Literature Reference Author | G.T.CARTER,D.W.PHILLIPSON,R.R.WEST,D.B.BORDERS |
| Literature Reference Citation | J.ORG.CHEM.,58,6588(1993) |
| Literature Reference DOI | 10.1021/jo00076a016 |
| Molecular Weight | 1240.490 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ3947 |