valechlorine

Datasheet MSDS
Catalog Number
ANC02893
Product Name
valechlorine
CAS Number
51771-49-4
IUPAC Name
[(1S,6S,7S,7aS)-4-(acetyloxymethyl)-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-6-yl] 3-methylbutanoate
Synonyms
Valtratechlorohydrin
Molecular Formula
C22H31ClO8
Molecular Weight
458.9
Appearance
Powder
Purity
>98%
SMILES
CC(C)CC(=O)O[C@H]1C=C2[C@@H]([C@]1(CCl)O)[C@@H](OC=C2COC(=O)C)OC(=O)CC(C)C
InChI
InChI=1S/C22H31ClO8/c1-12(2)6-18(25)30-17-8-16-15(9-28-14(5)24)10-29-21(20(16)22(17,27)11-23)31-19(26)7-13(3)4/h8,10,12-13,17,20-21,27H,6-7,9,11H2,1-5H3/t17-,20+,21-,22+/m0/s1
InChI Key
HHVCVAIASNFMBE-KVJIRVJXSA-N
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