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BIS-5',5'-NOR-TRACHELOGENIN

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BIS-5',5'-NOR-TRACHELOGENIN
SpectraBase Compound ID 4mVNs10WCcd
InChI InChI=1S/C40H42O14/c1-49-31-13-21(5-7-29(31)41)9-25-19-53-37(45)39(25,47)17-23-11-27(35(43)33(15-23)51-3)28-12-24(16-34(52-4)36(28)44)18-40(48)26(20-54-38(40)46)10-22-6-8-30(42)32(14-22)50-2/h5-8,11-16,25-26,41-44,47-48H,9-10,17-20H2,1-4H3/t25-,26-,39-,40-/m1/s1
InChIKey FCHXWKUPZFYUDG-CQYVORAFSA-N
Mol Weight 746.8 g/mol
Molecular Formula C40H42O14
Exact Mass 746.257456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Alu3Pdkw3O8
Name BIS-5',5'-NOR-TRACHELOGENIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42O14
InChI InChI=1S/C40H42O14/c1-49-31-13-21(5-7-29(31)41)9-25-19-53-37(45)39(25,47)17-23-11-27(35(43)33(15-23)51-3)28-12-24(16-34(52-4)36(28)44)18-40(48)26(20-54-38(40)46)10-22-6-8-30(42)32(14-22)50-2/h5-8,11-16,25-26,41-44,47-48H,9-10,17-20H2,1-4H3/t25-,26-,39-,40-/m1/s1
InChIKey FCHXWKUPZFYUDG-CQYVORAFSA-N
Literature Reference Author G.C.WANG,Y.F.WANG,G.Q.LI,W.C.YE,Y.L.LI
Literature Reference Citation CHEM.PHARM.BULL.,60,920(2012)
Literature Reference DOI 10.1248/cpb.c12-00132
Molecular Weight 746.765 g/mol
Source File Reference UWBT4456