SpectraBase Spectrum ID |
4J1xhP3IHD |
Name |
6-Oxabicyclo[3.2.1]oct-3-ene-7-acetic acid, 3-methyl-8-(1-methylethyl)-2-(2-oxoethyl)-, methyl ester, (2-endo,7-exo,8-anti)- |
CAS Registry Number |
122053-02-5 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H24O4 |
InChI |
InChI=1S/C16H24O4/c1-9(2)15-12-7-10(3)11(5-6-17)16(15)13(20-12)8-14(18)19-4/h6-7,9,11-13,15-16H,5,8H2,1-4H3/t11-,12+,13-,15+,16?/m0/s1 |
InChIKey |
NXMHLQPSTMIJIK-QIZXESHQSA-N |
Molecular Weight |
280.364 g/mol |
SMILES |
C12[C@@](O[C@]([C@]2(C(C)C)[H])([H])C=C([C@@]1(CC=O)[H])C)(CC(=O)OC)[H] |
SPLASH |
splash10-000x-2900000000-38bc3b3b595811201151 |
Source of Spectrum |
H-71-975-14 |
Synonyms |
Methyl (1R*,2S*,5R*,7S*,8S*)-2-(formylmethyl)-3-methyl-8-(1-methylethyl)-6-oxabicyclo[3.2.1]oct-3-eN-acetate
Methyl[(2R,5S,7S,8S)-8-isopropyl-3-methyl-2-(2-oxoethyl)-6-oxabicyclo[3.2.1]oct-3-en-7-yl]acetate |
Wiley ID |
1283958 |