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(2S(2-ALPHA(S),3A-ALPHA,4-BETA,7-BETA,7A-ALPHA))-(PHENYLMETHYL)-N-(2-(3-CHLORO-4,5-DI-(PHENYLMETHOXY)-PHENYL)-2-((OCTAHYDRO-7,8,8-TRIMETHYL-4,7-ME

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(2S(2-ALPHA(S),3A-ALPHA,4-BETA,7-BETA,7A-ALPHA))-(PHENYLMETHYL)-N-(2-(3-CHLORO-4,5-DI-(PHENYLMETHOXY)-PHENYL)-2-((OCTAHYDRO-7,8,8-TRIMETHYL-4,7-ME
SpectraBase Compound ID 3HUWGH39BUl
InChI InChI=1S/C42H46ClNO6/c1-41(2)33-19-20-42(41,3)39-32(33)23-37(50-39)49-36(24-44-40(45)48-27-30-17-11-6-12-18-30)31-21-34(43)38(47-26-29-15-9-5-10-16-29)35(22-31)46-25-28-13-7-4-8-14-28/h4-18,21-22,32-33,36-37,39H,19-20,23-27H2,1-3H3,(H,44,45)/t32-,33-,36-,37-,39-,42+/m0/s1
InChIKey YAHWKUDEANSIPK-GRTYUKGVSA-N
Mol Weight 696.3 g/mol
Molecular Formula C42H46ClNO6
Exact Mass 695.301366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JPjMMcp3ly
Name (2S(2-ALPHA(S),3A-ALPHA,4-BETA,7-BETA,7A-ALPHA))-(PHENYLMETHYL)-N-(2-(3-CHLORO-4,5-DI-(PHENYLMETHOXY)-PHENYL)-2-((OCTAHYDRO-7,8,8-TRIMETHYL-4,7-ME
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H46ClNO6
InChI InChI=1S/C42H46ClNO6/c1-41(2)33-19-20-42(41,3)39-32(33)23-37(50-39)49-36(24-44-40(45)48-27-30-17-11-6-12-18-30)31-21-34(43)38(47-26-29-15-9-5-10-16-29)35(22-31)46-25-28-13-7-4-8-14-28/h4-18,21-22,32-33,36-37,39H,19-20,23-27H2,1-3H3,(H,44,45)/t32-,33-,36-,37-,39-,42+/m0/s1
InChIKey YAHWKUDEANSIPK-GRTYUKGVSA-N
Literature Reference Author M.KNOLLMUELLER,P.GAERTNER,J.PERNERSTORFER,P.POJARLIEV,H.B.ST EGMANN
Literature Reference Citation MH.CHEM.,130,451(1999)
Literature Reference DOI 10.1007/s007060050204
Molecular Weight 696.283 g/mol
Solvent CDCl3
Source File Reference UWMP742