SpectraBase Compound ID | 5VSbMuRRn7 |
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InChI | InChI=1S/C34H50O7/c1-18(16-35)19(2)29(39)30(41-23(6)37)21(4)28-26(40-22(5)36)15-32(8)27-10-9-24-20(3)25(38)11-12-33(24)17-34(27,33)14-13-31(28,32)7/h18,20-21,24,26-28,30,35H,2,9-17H2,1,3-8H3/t18-,20-,21-,24-,26-,27-,28-,30+,31+,32-,33+,34-/m0/s1 |
InChIKey | DVYXBXNSRWHEAH-QDNFKKIJSA-N |
Mol Weight | 570.8 g/mol |
Molecular Formula | C34H50O7 |
Exact Mass | 570.355654 g/mol |
SpectraBase Spectrum ID | AnPsLbDk8VG |
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Name | 1,2-DIHYDRONEOBOUTOMELLERONE |
Compound Number | 5 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C34H50O7 |
InChI | InChI=1S/C34H50O7/c1-18(16-35)19(2)29(39)30(41-23(6)37)21(4)28-26(40-22(5)36)15-32(8)27-10-9-24-20(3)25(38)11-12-33(24)17-34(27,33)14-13-31(28,32)7/h18,20-21,24,26-28,30,35H,2,9-17H2,1,3-8H3/t18-,20-,21-,24-,26-,27-,28-,30+,31+,32-,33+,34-/m0/s1 |
InChIKey | DVYXBXNSRWHEAH-QDNFKKIJSA-N |
Literature Reference Author | C.LONG,J.BECK,F.CANTAGREL,L.MARCOURT,L.VENDIER,B.DAVID,F.PLI SSON,F.DERGUINI,I.VA |
Literature Reference Citation | J.NAT.PROD.,75,34(2012) |
Literature Reference DOI | 10.1021/np200441h |
Molecular Weight | 570.767 g/mol |
Sample ID | 39716 |
Solvent | CD3CN |