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5-BENZYLOXYMETHYL-5,9-DIMETHYL-13-ALPHA,14-BETA-BIS-(DIPHENYLPHOSPHANYLMETHYL)-16-ISOPROPYL-TETRACYCLO-[10.2.2.0(1,10).0(4,9)]-HEXADEC-15-ENE
SpectraBase Compound ID JP80pTn3DIz
InChI InChI=1S/C55H64OP2/c1-41(2)48-36-55-34-31-51-53(3,40-56-37-42-21-10-5-11-22-42)32-20-33-54(51,4)52(55)35-47(48)49(38-57(43-23-12-6-13-24-43)44-25-14-7-15-26-44)50(55)39-58(45-27-16-8-17-28-45)46-29-18-9-19-30-46/h5-19,21-30,36,41,47,49-52H,20,31-35,37-40H2,1-4H3/t47-,49+,50+,51?,52?,53-,54-,55+/m0/s1
InChIKey FNTZRYWNEYFOIE-OHFXKHIWSA-N
Mol Weight 803.1 g/mol
Molecular Formula C55H64OP2
Exact Mass 802.443241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MqueV4jDnE
Name 5-BENZYLOXYMETHYL-5,9-DIMETHYL-13-ALPHA,14-BETA-BIS-(DIPHENYLPHOSPHANYLMETHYL)-16-ISOPROPYL-TETRACYCLO-[10.2.2.0(1,10).0(4,9)]-HEXADEC-15-ENE
Compound Number IX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C55H64OP2
InChI InChI=1S/C55H64OP2/c1-41(2)48-36-55-34-31-51-53(3,40-56-37-42-21-10-5-11-22-42)32-20-33-54(51,4)52(55)35-47(48)49(38-57(43-23-12-6-13-24-43)44-25-14-7-15-26-44)50(55)39-58(45-27-16-8-17-28-45)46-29-18-9-19-30-46/h5-19,21-30,36,41,47,49-52H,20,31-35,37-40H2,1-4H3/t47-,49+,50+,51?,52?,53-,54-,55+/m0/s1
InChIKey FNTZRYWNEYFOIE-OHFXKHIWSA-N
Literature Reference Author A.G.TOLSTIKOV,N.N.KARPYSHEV,O.V.TOLSTIKOVA,T.B.KHLEBNIKOVA,G .E.SALNIKOV,V.I.MAMA
Literature Reference Citation RUSS.J.ORG.CHEM.,37,1134(2001)
Literature Reference DOI 10.1023/A:1013144431609
Molecular Weight 803.060 g/mol
Solvent CDCl3
Source File Reference UWVN5613