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(+)2-Methoxy-5-chloro-6-[[trans-octahydro-5.beta.6.beta.,,8A.beta.-trimethyl-1.beta.-[[[6-(N-T-bocamino)hexanoyl]oxy]methyl]-5.alpha.-naphthyl]methyl]-1,4-cyclohexadiene-1,4-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(+)2-Methoxy-5-chloro-6-[[trans-octahydro-5.beta.6.beta.,,8A.beta.-trimethyl-1.beta.-[[[6-(N-T-bocamino)hexanoyl]oxy]methyl]-5.alpha.-naphthyl]methyl]-1,4-cyclohexadiene-1,4-dione
SpectraBase Compound ID Js2M1XY6itd
InChI InChI=1S/C33H50ClNO7/c1-21-15-16-32(5)22(20-41-27(37)14-9-8-10-17-35-30(39)42-31(2,3)4)12-11-13-26(32)33(21,6)19-23-28(34)24(36)18-25(40-7)29(23)38/h18,21-22,26H,8-17,19-20H2,1-7H3,(H,35,39)/t21-,22+,26+,32+,33+/m0/s1
InChIKey SUJLRGFRKUYUCY-HYVDHHNWSA-N
Mol Weight 608.2 g/mol
Molecular Formula C33H50ClNO7
Exact Mass 607.327581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kmnzALvegU
Name (+)2-Methoxy-5-chloro-6-[[trans-octahydro-5.beta.6.beta.,,8a.beta.-trimethyl-1.beta.-[[[6-(N-t-BOCamino)hexanoyl]oxy]methyl]-5.alpha.-naphthyl]methyl]-1,4-cyclohexadiene-1,4-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H50ClNO7
InChI InChI=1S/C33H50ClNO7/c1-21-15-16-32(5)22(20-41-27(37)14-9-8-10-17-35-30(39)42-31(2,3)4)12-11-13-26(32)33(21,6)19-23-28(34)24(36)18-25(40-7)29(23)38/h18,21-22,26H,8-17,19-20H2,1-7H3,(H,35,39)/t21-,22+,26+,32+,33+/m0/s1
InChIKey SUJLRGFRKUYUCY-HYVDHHNWSA-N
Molecular Weight 608.216 g/mol
SMILES N(C(OC(C)(C)C)=O)CCCCCC(OC[C@@]1([C@@]2([C@]([C@](CC3=C(C(C=C(C3=O)OC)=O)Cl)([C@](CC2)(C)[H])C)(CCC1)[H])C)[H])=O
SPLASH splash10-00dl-3309110000-063ec28ab826c325fff3
Source of Spectrum J-62-2830-21e
Synonyms (+)2-Methoxy-5-chloro-6-chloro-1-[[trans-octahydro-5.beta.6.beta.,,8a.beta.-trimethyl-1.beta.-[[[6-(N-t-BOCamino)hexanoyl]oxy]methyl]-5.alpha.-naphthyl]methyl]-1,4-cyclohexadiene-1,4-dione 6-tert-Butoxycarbonylamino-hexanoic acid (1S,4aS,5R,6S,8aS)-5-(2-Methoxy-5-chloro-1,4-cyclohexadiene-1,4-dione-methyl)-5,6,8a-trimethyl-decahydro-naphthalen-1-ylmethyl ester 6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid [(1S,4aS,5R,6S,8aS)-5-[(2-Methoxy-5-chloro-1,4-cyclohexadiene-1,4-dione)methyl]-5,6,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]me thyl ester [(1S,4aS,5R,6S,8aS)-5-[(2-Methoxy-5-chloro-1,4-cyclohexadiene-1,4-dione)methyl]-5,6,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate [(1S,4aS,5R,6S,8aS)-5-[(2-Methoxy-5-chloro-1,4-cyclohexadiene-1,4-dione-methyl]-5,6,8a-trimethyl-decalin-1-yl]methyl 6-(tert-butoxycarbonylamino)hexanoate [(1S,4aS,5R,6S,8aS)-5-[(2-Methoxy-5-chloro-1,4-cyclohexadiene-1,4-dione)methyl]-5,6,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Wiley ID 1410677