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Bicyclo[4.2.0]octane-2-acetic acid, 8-acetyl-7-[(acetyloxy)methyl]-3-methyl-7-(4-methylpentyl)-, methyl ester, [1R-(1.alpha.,2.beta.,3.beta.,6.alpha.,7.alpha.,8.alpha.)]-
SpectraBase Compound ID 8dDP3sCXQUT
InChI InChI=1S/C23H38O5/c1-14(2)8-7-11-23(13-28-17(5)25)19-10-9-15(3)18(12-20(26)27-6)21(19)22(23)16(4)24/h14-15,18-19,21-22H,7-13H2,1-6H3/t15-,18-,19+,21-,22+,23+/m1/s1
InChIKey KXVSHDYMTKNVIV-UPFAUYOTSA-N
Mol Weight 394.6 g/mol
Molecular Formula C23H38O5
Exact Mass 394.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gjpyr9LgDQL
Name Bicyclo[4.2.0]octane-2-acetic acid, 8-acetyl-7-[(acetyloxy)methyl]-3-methyl-7-(4-methylpentyl)-, methyl ester, [1R-(1.alpha.,2.beta.,3.beta.,6.alpha.,7.alpha.,8.alpha.)]-
Alternate Name(s) Methyl ester of 18-acetoxy-15-oxo-14,15-secodecipi-14-oic acid Methyl[(1R,2R,3R,6S,7S,8S)-8-acetyl-7-[(acetyloxy)methyl]-3-methyl-7-(4-methylpentyl)bicyclo[4.2.0]oct-2-yl]acetate
CAS Registry Number 77982-19-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O5
InChI InChI=1S/C23H38O5/c1-14(2)8-7-11-23(13-28-17(5)25)19-10-9-15(3)18(12-20(26)27-6)21(19)22(23)16(4)24/h14-15,18-19,21-22H,7-13H2,1-6H3/t15-,18-,19+,21-,22+,23+/m1/s1
InChIKey KXVSHDYMTKNVIV-UPFAUYOTSA-N
Molecular Weight 394.552 g/mol
SMILES [C@]1([C@]2(CC[C@]([C@]([C@]2([C@@]1(C(=O)C)[H])[H])(CC(=O)OC)[H])(C)[H])[H])(COC(=O)C)CCCC(C)C
SPLASH splash10-014l-0192000000-e8144c8d3021cac4149c
Source of Spectrum F-36-3257-0
Wiley ID 1366741