(3aS,4R)-Triethyl 3a,4,5,6-tetrahydro-1H-benzo[3,4]cyclohepta- [1,2-c]furan-4,9,9(3H,8H,10H)-tricarboxylate

SpectraBase Compound ID	4s5CCRdIyoC
InChI	InChI=1S/C22H30O7/c1-4-27-19(23)15-8-7-14-9-10-22(20(24)28-5-2,21(25)29-6-3)11-16(14)18-13-26-12-17(15)18/h9,15,17H,4-8,10-13H2,1-3H3/t15-,17+/m1/s1
InChIKey	IWYRQSBVSQKEFN-WBVHZDCISA-N Google Search
Mol Weight	406.48 g/mol
Molecular Formula	C22H30O7
Exact Mass	406.199153 g/mol

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SpectraBase Spectrum ID	3dfQUMKTZI
Name	(3aS,4R)-Triethyl 3a,4,5,6-tetrahydro-1H-benzo[3,4]cyclohepta- [1,2-c]furan-4,9,9(3H,8H,10H)-tricarboxylate
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H30O7
InChI	InChI=1S/C22H30O7/c1-4-27-19(23)15-8-7-14-9-10-22(20(24)28-5-2,21(25)29-6-3)11-16(14)18-13-26-12-17(15)18/h9,15,17H,4-8,10-13H2,1-3H3/t15-,17+/m1/s1
InChIKey	IWYRQSBVSQKEFN-WBVHZDCISA-N
Literature Reference DOI	10.1021/ol502288x
Molecular Weight	406.475 g/mol
SMILES	C1(C(OCC)=O)(C(OCC)=O)CC=2C(CC[C@](C(=O)OCC)([H])[C@@]3(COCC23)[H])=CC1
SPLASH	splash10-054x-4910000000-b69f0b4f8e56b990a9f2
Source of Spectrum	A1-16-5008/SMS14-2d
Synonyms	(3aS,4R)-triethyl 3a,4,5,6-tetrahydro-1H-benzo[3,4]cyclohepta[1,2-c]furan-4,9,9(3H,8H,10H)-tricarboxylate
Wiley ID	1751275