2-[(1R,2'S,3S,3aS,7aS)-1-acetonyl-2',3a,7,7-tetramethyl-spiro[4,5,6,7a-tetrahydro-1H-isobenzofuran-3,5'-tetrahydrofuran]-2'-yl]acetic acid methyl ester

SpectraBase Compound ID	C13njZdmFvJ
InChI	InChI=1S/C21H34O5/c1-14(22)12-15-17-18(2,3)8-7-9-20(17,5)21(25-15)11-10-19(4,26-21)13-16(23)24-6/h15,17H,7-13H2,1-6H3/t15-,17+,19+,20+,21+/m1/s1
InChIKey	LBNHFUDEOMZNBR-ONKRVSLGSA-N Google Search
Mol Weight	366.5 g/mol
Molecular Formula	C21H34O5
Exact Mass	366.240624 g/mol

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SpectraBase Spectrum ID	4KO5MR5xrRN
Name	2-[(1R,2'S,3S,3aS,7aS)-1-acetonyl-2',3a,7,7-tetramethyl-spiro[4,5,6,7a-tetrahydro-1H-isobenzofuran-3,5'-tetrahydrofuran]-2'-yl]acetic acid methyl ester
CAS Registry Number	80865-70-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H34O5
InChI	InChI=1S/C21H34O5/c1-14(22)12-15-17-18(2,3)8-7-9-20(17,5)21(25-15)11-10-19(4,26-21)13-16(23)24-6/h15,17H,7-13H2,1-6H3/t15-,17+,19+,20+,21+/m1/s1
InChIKey	LBNHFUDEOMZNBR-ONKRVSLGSA-N
Molecular Weight	366.498 g/mol
SMILES	[C@]12([C@@]3([C@@](C(C)(C)CCC3)([H])[C@](O1)(CC(=O)C)[H])C)O[C@@](CC(=O)OC)(C)CC2
SPLASH	splash10-0007-9731000000-21724a78fed65b5129ad
Source of Spectrum	KC-1989-1398-3
Synonyms	2-[(1R,2'S,3S,3aS,7aS)-2',3a,7,7-tetramethyl-1-(2-oxopropyl)-2'-spiro[4,5,6,7a-tetrahydro-1H-isobenzofuran-3,5'-oxolane]yl]acetic acid methyl ester Methyl 2-[(1R,2'S,3S,3aS,7aS)-1-acetonyl-2',3a,7,7-tetramethyl-spiro[4,5,6,7a-tetrahydro-1H-isobenzofuran-3,5'-tetrahydrofuran]-2'-yl]acetate Methyl 2-[(1R,2'S,3S,3aS,7aS)-2',3a,7,7-tetramethyl-1-(2-oxidanylidenepropyl)spiro[4,5,6,7a-tetrahydro-1H-2-benzofuran-3,5'-oxolane]-2'-yl]ethanoate Methyl 2-[(1R,2'S,3S,3aS,7aS)-2',3a,7,7-tetramethyl-1-(2-oxopropyl)spiro[4,5,6,7a-tetrahydro-1H-2-benzofuran-3,5'-oxolane]-2'-yl]acetate
Wiley ID	1352082