SpectraBase Spectrum ID |
LZmDTbUdET3 |
Name |
Bicyclo[4.1.0]heptane-2-carboxylic acid, 2-(4-hydroxy-3-oxobutyl)-3,7,7-trimethyl-, [1R-(1.alpha.,2.beta.,3.beta.,6.alpha.)]- |
CAS Registry Number |
77284-03-8 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C15H24O4 |
InChI |
InChI=1S/C15H24O4/c1-9-4-5-11-12(14(11,2)3)15(9,13(18)19)7-6-10(17)8-16/h9,11-12,16H,4-8H2,1-3H3,(H,18,19)/t9-,11+,12+,15-/m0/s1 |
InChIKey |
PQJVLUITLTUAII-NFOTXUCKSA-N |
Molecular Weight |
268.353 g/mol |
SMILES |
OC([C@]1(CCC(CO)=O)[C@]2(C(C)(C)[C@@]2(CC[C@@]1(C)[H])[H])[H])=O |
SPLASH |
splash10-000x-9410000000-23b5ee4d48726c3fa2e7 |
Source of Spectrum |
KC-1984-220-0 |
Synonyms |
(1R,2S,3S,6R)-2-(4-hydroxy-3-oxobutyl)-3,7,7-trimethylbicyclo[4.1.0]heptane-2-carboxylic acid
(1R,6R,7S,10R)-14-hydroxy-4-oxo-4,5-secovitran-5-oic acid |
Wiley ID |
1272160 |