| SpectraBase Compound ID | FiLXL5MtuRE |
|---|---|
| InChI | InChI=1S/C62H96O9/c1-51(2)42-18-24-59(10)44(54(42,5)22-20-46(51)64)16-14-38-40-34-52(3,26-30-61(40,49(67)69-12)32-28-57(38,59)8)37-71-48(66)53(4)27-31-62(50(68)70-13)33-29-58(9)39(41(62)35-53)15-17-45-55(6)23-21-47(65)56(7,36-63)43(55)19-25-60(45,58)11/h14-15,40-47,63-65H,16-37H2,1-13H3/t40?,41?,42?,43?,44?,45?,46-,47+,52+,53-,54-,55+,56-,57+,58-,59+,60-,61-,62+/m1/s1 |
| InChIKey | OFDRZTNTHXYONX-HBYXFASVSA-N |
| Mol Weight | 985.4 g/mol |
| Molecular Formula | C62H96O9 |
| Exact Mass | 984.705435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ic8ThcnOlqM |
|---|---|
| Name | OFFICIGENIN-DIMETHYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H96O9 |
| InChI | InChI=1S/C62H96O9/c1-51(2)42-18-24-59(10)44(54(42,5)22-20-46(51)64)16-14-38-40-34-52(3,26-30-61(40,49(67)69-12)32-28-57(38,59)8)37-71-48(66)53(4)27-31-62(50(68)70-13)33-29-58(9)39(41(62)35-53)15-17-45-55(6)23-21-47(65)56(7,36-63)43(55)19-25-60(45,58)11/h14-15,40-47,63-65H,16-37H2,1-13H3/t40?,41?,42?,43?,44?,45?,46-,47+,52+,53-,54-,55+,56-,57+,58-,59+,60-,61-,62+/m1/s1 |
| InChIKey | OFDRZTNTHXYONX-HBYXFASVSA-N |
| Literature Reference Author | V.U.AHMAD,N.BANO,S.BANO |
| Literature Reference Citation | J.NAT.PROD.,47,977(1984) |
| Literature Reference DOI | 10.1021/np50036a011 |
| Molecular Weight | 985.439 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS3231 |