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8,19-DIACETOXY-5,7,9,11,16,18,20,22-OCTAHYDRO-5,22:7,20:9,18:11,16-TETRAMETHANONONACENE
SpectraBase Compound ID 6UYwESA3Ibl
InChI InChI=1S/C46H34O4/c1-19(47)49-45-41-37-17-39(35-15-31-27-11-25(29(31)13-33(35)37)21-7-3-5-9-23(21)27)43(41)46(50-20(2)48)44-40-18-38(42(44)45)34-14-30-26-12-28(32(30)16-36(34)40)24-10-6-4-8-22(24)26/h3-10,13-16,25-28,37-40H,11-12,17-18H2,1-2H3/t25-,26+,27+,28-,37-,38+,39+,40-
InChIKey VCWUGMNQDMFBGE-KIGRTTCNSA-N
Mol Weight 650.8 g/mol
Molecular Formula C46H34O4
Exact Mass 650.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HAIT7RglJoD
Name 8,19-DIACETOXY-5,7,9,11,16,18,20,22-OCTAHYDRO-5,22:7,20:9,18:11,16-TETRAMETHANONONACENE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H34O4
InChI InChI=1S/C46H34O4/c1-19(47)49-45-41-37-17-39(35-15-31-27-11-25(29(31)13-33(35)37)21-7-3-5-9-23(21)27)43(41)46(50-20(2)48)44-40-18-38(42(44)45)34-14-30-26-12-28(32(30)16-36(34)40)24-10-6-4-8-22(24)26/h3-10,13-16,25-28,37-40H,11-12,17-18H2,1-2H3/t25-,26+,27+,28-,37-,38+,39+,40-
InChIKey VCWUGMNQDMFBGE-KIGRTTCNSA-N
Literature Reference Author F.G.KLAERNER,U.BURKERT,M.KAMIETH,R.BOESE,J.BENET-BUCHHOLZ
Literature Reference Citation CHEM.EUR.J.,5,1700(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990604)5:6<1700::aid-chem1700>3.3.co;2-0
Molecular Weight 650.774 g/mol
Solvent CDCl3
Source File Reference UWRU9685