tert-Butyl 4-[3(S),4(R)-(cyclohexylidenedioxy)-5(S)-[(methoxycarbonyl)methyl]tetrahydropyran-2(S)-yl]-3-methyl-2(Z)-butenoate

SpectraBase Compound ID	8855RJbIgQj
InChI	InChI=1S/C23H36O7/c1-15(12-19(25)28-22(2,3)4)11-17-21-20(16(14-27-17)13-18(24)26-5)29-23(30-21)9-7-6-8-10-23/h12,16-17,20-21H,6-11,13-14H2,1-5H3/b15-12-/t16-,17-,20+,21-/m0/s1
InChIKey	MSOWMJCUMJIXHL-HGBLQEDJSA-N Google Search
Mol Weight	424.5 g/mol
Molecular Formula	C23H36O7
Exact Mass	424.246103 g/mol

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SpectraBase Spectrum ID	8MfwehfVUez
Name	tert-Butyl 4-[3(S),4(R)-(cyclohexylidenedioxy)-5(S)-[(methoxycarbonyl)methyl]tetrahydropyran-2(S)-yl]-3-methyl-2(Z)-butenoate
Alternate Name(s)	tert-Butyl (2Z)-4-[(3aS,4S,7S,7aR)-7-(2-methoxy-2-oxoethyl)-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-4-yl]-3-methylbut-2-enoate
CAS Registry Number	100837-44-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H36O7
InChI	InChI=1S/C23H36O7/c1-15(12-19(25)28-22(2,3)4)11-17-21-20(16(14-27-17)13-18(24)26-5)29-23(30-21)9-7-6-8-10-23/h12,16-17,20-21H,6-11,13-14H2,1-5H3/b15-12-/t16-,17-,20+,21-/m0/s1
InChIKey	MSOWMJCUMJIXHL-HGBLQEDJSA-N
Molecular Weight	424.534 g/mol
SMILES	[C@]12([C@](OC3(O2)CCCCC3)([C@@](CC(=O)OC)(CO[C@]1(C\C(=C/C(OC(C)(C)C)=O)C)[H])[H])[H])[H]
SPLASH	splash10-0a4i-0905100000-74436e1c9d4c1aaf97aa
Source of Spectrum	J-53-5918-44
Wiley ID	1379292