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(3aS,4S,5R,6aR)-hexahydro-5-hydroxy-4-[(trityloxy)methyl]-2(1H)-pentalenone

View entire compound with spectra: 2 NMR, and 1 FTIR

(3aS,4S,5R,6aR)-hexahydro-5-hydroxy-4-[(trityloxy)methyl]-2(1H)-pentalenone
SpectraBase Compound ID Jl9QW2LZytU
InChI InChI=1S/C28H28O3/c29-24-16-20-17-27(30)26(25(20)18-24)19-31-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,20,25-27,30H,16-19H2/t20-,25-,26+,27+/m0/s1
InChIKey DDCLEQJLFWOMLY-MPKDPQEWSA-N
Mol Weight 412.53 g/mol
Molecular Formula C28H28O3
Exact Mass 412.203845 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IsXwzaXvLil
Name (3aS,4S,5R,6aR)-HEXAHYDRO-5-HYDROXY-4-[(TRITYLOXY)METHYL]-2(1H)-PENTALENONE
Source of Sample N. Mongelli, Farmitalia Carlo Erba S.p.A., Milan, Italy
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28O3
InChI InChI=1S/C28H28O3/c29-24-16-20-17-27(30)26(25(20)18-24)19-31-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,20,25-27,30H,16-19H2/t20-,25-,26+,27+/m0/s1
InChIKey DDCLEQJLFWOMLY-MPKDPQEWSA-N
Literature Reference TETRAHEDRON LETT. 24, 3527(1983) Abstract-Chemical Abstracts= 100, 138798(1984)
Melting Point 93-97C
Molecular Weight 412.528992
Optical Properties Optical Rotation= (20C) +28 DEG (CHLOROFORM)
Synonyms PENTALENONE, 2/1H/-, HEXAHYDRO- 5-HYDROXY-4-//TRITYLOXY/METHYL/-, /3AS,4S,5R,6AR/-,
Technique KBr WAFER