For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(E)-3-[4-[(1S,3aR,7aS)-1-tert-butoxy-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]-1-besyl-3,6-dihydro-2H-pyridin-5-yl]acrylic acid tert-butyl ester

View entire compound with spectra: 2 MS (GC)

(E)-3-[4-[(1S,3aR,7aS)-1-tert-butoxy-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]-1-besyl-3,6-dihydro-2H-pyridin-5-yl]acrylic acid tert-butyl ester
SpectraBase Compound ID HBJZsHWfqoW
InChI InChI=1S/C32H45NO5S/c1-30(2,3)37-28-15-14-25-21-23(17-19-32(25,28)7)27-18-20-33(39(35,36)26-11-9-8-10-12-26)22-24(27)13-16-29(34)38-31(4,5)6/h8-13,16,21,25,28H,14-15,17-20,22H2,1-7H3/b16-13+/t25-,28+,32+/m1/s1
InChIKey MCZCFKNGBRMWSK-ZMNAAHCCSA-N
Mol Weight 555.8 g/mol
Molecular Formula C32H45NO5S
Exact Mass 555.301845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1Bi1a6D1s7w
Name (E)-3-[4-[(1S,3aR,7aS)-1-tert-butoxy-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]-1-besyl-3,6-dihydro-2H-pyridin-5-yl]acrylic acid tert-butyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H45NO5S
InChI InChI=1S/C32H45NO5S/c1-30(2,3)37-28-15-14-25-21-23(17-19-32(25,28)7)27-18-20-33(39(35,36)26-11-9-8-10-12-26)22-24(27)13-16-29(34)38-31(4,5)6/h8-13,16,21,25,28H,14-15,17-20,22H2,1-7H3/b16-13+/t25-,28+,32+/m1/s1
InChIKey MCZCFKNGBRMWSK-ZMNAAHCCSA-N
Molecular Weight 555.774 g/mol
SMILES C1N(S(=O)(=O)c2ccccc2)CCC(=C1\C=C\C(OC(C)(C)C)=O)C1=C[C@]2(CC[C@@]([C@]2(CC1)C)(OC(C)(C)C)[H])[H]
SPLASH splash10-0a4l-9046500000-ea553156342a8c0a1a24
Source of Spectrum QE-12-8341-5
Synonyms (E)-(1''S,3a''R,7a''S)-tert-Butyl 3-[1'-benzenesulfonyl-4'-(1''-tert-butoxy-7a''-methyl-2'',3'',3a'',6'',7'',7a''-hexahydro-1''H-indene-5''-yl)-1',2',5',6'-tetrahydropyridine-3'-yl]acrylate (E)-3-[4-[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]-1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-5-yl]-2-propenoic acid tert-butyl ester tert-Butyl (E)-3-[4-[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]-1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoate tert-Butyl (E)-3-[4-[(1S,3aR,7aS)-1-tert-butoxy-7a-methyl-1,2,3,3a,6,7-hexahydroinden-5-yl]-1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoate tert-Butyl (E)-3-[4-[(1S,3aR,7aS)-7a-methyl-1-[(2-methylpropan-2-yl)oxy]-1,2,3,3a,6,7-hexahydroinden-5-yl]-1-(phenylsulfonyl)-3,6-dihydro-2H-pyridin-5-yl]prop-2-enoate
Wiley ID 1587405