| SpectraBase Compound ID | 2And9xiuXEM |
|---|---|
| InChI | InChI=1S/C40H61NO12/c1-26(34(46)33-35(47)31(41-39(33)51)23-27-19-21-29(44)22-20-27)15-11-7-5-6-9-13-17-28(43)16-12-8-3-2-4-10-14-18-30(45)25-52-40-38(50)37(49)36(48)32(24-42)53-40/h19-22,26,30,32,36-38,40,42,44-45,47-50H,2-18,23-25H2,1H3/t26?,30?,32-,36-,37+,38+,40+/m0/s1 |
| InChIKey | KOMHLFKWLYKZGV-FSIYPIQHSA-N |
| Mol Weight | 747.9 g/mol |
| Molecular Formula | C40H61NO12 |
| Exact Mass | 747.419376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdOWf7vPKXy |
|---|---|
| Name | 1,2-DEHYDROVIRGINEONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H61NO12 |
| InChI | InChI=1S/C40H61NO12/c1-26(34(46)33-35(47)31(41-39(33)51)23-27-19-21-29(44)22-20-27)15-11-7-5-6-9-13-17-28(43)16-12-8-3-2-4-10-14-18-30(45)25-52-40-38(50)37(49)36(48)32(24-42)53-40/h19-22,26,30,32,36-38,40,42,44-45,47-50H,2-18,23-25H2,1H3/t26?,30?,32-,36-,37+,38+,40+/m0/s1 |
| InChIKey | KOMHLFKWLYKZGV-FSIYPIQHSA-N |
| Literature Reference Author | M.FIGUEROA,H.RAJA,J.O.FALKINHAM,A.F.ADCOCK,D.J.KROLL,M.C.WAN I,C.J.PEARCE,N.H.OBE |
| Literature Reference Citation | J.NAT.PROD.,76,1007(2013) |
| Literature Reference DOI | 10.1021/np3008842 |
| Molecular Weight | 747.924 g/mol |
| Sample ID | 42564 |
| Solvent | CD3OD |