SpectraBase Spectrum ID |
1cFhYo95DeL |
Name |
2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, 2,2,4-trimethyl-3-(3-oxo-1-butenyl)-3-cyclohexen-1-yl ester, [1S-[1.alpha.[R*(E)],4.beta.]]- |
CAS Registry Number |
125075-32-3 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C23H32O5 |
InChI |
InChI=1S/C23H32O5/c1-14-8-11-17(20(3,4)16(14)10-9-15(2)24)27-19(26)23-13-12-22(7,18(25)28-23)21(23,5)6/h9-10,17H,8,11-13H2,1-7H3/b10-9+/t17-,22-,23+/m0/s1 |
InChIKey |
IWQKZXVKEGQRSY-QKQIYPFKSA-N |
Molecular Weight |
388.504 g/mol |
SMILES |
[C@@]12(OC(=O)[C@](C2(C)C)(C)CC1)C(O[C@@]1(C(C(\C=C\C(=O)C)=C(CC1)C)(C)C)[H])=O |
SPLASH |
splash10-002f-9700000000-025fead985f430e066a5 |
Source of Spectrum |
H-72-500-11 |
Synonyms |
(1S)-2,2,4-trimethyl-3-[(1E)-3-oxo-1-butenyl]-3-cyclohexen-1-yl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
[(1'R)-2',2',4'-trimethyl-3'-(3''-oxobut-1''-enyl)cyclohex-3'-en-1'-yl]camphanoate |
Wiley ID |
1363964 |