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24A-NOR-24,25-DIDEHYDRO-26-DEOXYNEOBOUTOMELLERONE
SpectraBase Compound ID G9ZhDw8KXt3
InChI InChI=1S/C33H46O6/c1-18(2)15-25(37)29(39-22(6)35)20(4)28-26(38-21(5)34)16-31(8)27-10-9-23-19(3)24(36)11-12-32(23)17-33(27,32)14-13-30(28,31)7/h11-12,15,19-20,23,26-29H,9-10,13-14,16-17H2,1-8H3/t19-,20-,23-,26-,27-,28-,29+,30+,31-,32+,33-/m0/s1
InChIKey GJYVHBNHRSKXSV-TTXOOTMKSA-N
Mol Weight 538.7 g/mol
Molecular Formula C33H46O6
Exact Mass 538.329439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JsmOkQwU1Cy
Name 24A-NOR-24,25-DIDEHYDRO-26-DEOXYNEOBOUTOMELLERONE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H46O6
InChI InChI=1S/C33H46O6/c1-18(2)15-25(37)29(39-22(6)35)20(4)28-26(38-21(5)34)16-31(8)27-10-9-23-19(3)24(36)11-12-32(23)17-33(27,32)14-13-30(28,31)7/h11-12,15,19-20,23,26-29H,9-10,13-14,16-17H2,1-8H3/t19-,20-,23-,26-,27-,28-,29+,30+,31-,32+,33-/m0/s1
InChIKey GJYVHBNHRSKXSV-TTXOOTMKSA-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 538.725 g/mol
Sample ID 39732
Solvent CD3CN