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1,2-DIHYDRO-1-ALPHA-HYDROXY-22-DE-O-ACETYLNEOBOUTOMELLERONE
SpectraBase Compound ID 9hV02ZWV3Yz
InChI InChI=1S/C32H48O7/c1-16(14-33)17(2)27(37)28(38)19(4)26-23(39-20(5)34)13-30(7)24-9-8-21-18(3)22(35)12-25(36)32(21)15-31(24,32)11-10-29(26,30)6/h16,18-19,21,23-26,28,33,36,38H,2,8-15H2,1,3-7H3/t16-,18-,19-,21-,23-,24-,25-,26-,28+,29+,30-,31-,32+/m0/s1
InChIKey MRMFZRCRYTVRKF-ANVMCMOUSA-N
Mol Weight 544.7 g/mol
Molecular Formula C32H48O7
Exact Mass 544.340004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ZtR1bA2qnZ
Name 1,2-DIHYDRO-1-ALPHA-HYDROXY-22-DE-O-ACETYLNEOBOUTOMELLERONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H48O7
InChI InChI=1S/C32H48O7/c1-16(14-33)17(2)27(37)28(38)19(4)26-23(39-20(5)34)13-30(7)24-9-8-21-18(3)22(35)12-25(36)32(21)15-31(24,32)11-10-29(26,30)6/h16,18-19,21,23-26,28,33,36,38H,2,8-15H2,1,3-7H3/t16-,18-,19-,21-,23-,24-,25-,26-,28+,29+,30-,31-,32+/m0/s1
InChIKey MRMFZRCRYTVRKF-ANVMCMOUSA-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 544.729 g/mol
Sample ID 39718
Solvent CD3CN