Chlorovaltrate K

Datasheet MSDS
Catalog Number
ANC02849
Product Name
Chlorovaltrate K
CAS Number
96801-92-2
IUPAC Name
[(1S,4aS,6S,7S,7aS)-6-acetyloxy-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
Synonyms
((1S,4aS,6S,7S,7aS)-6-acetoxy-7-(chloromethyl)-7-hydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl3-methylbutanoate
Molecular Formula
C22H33ClO8
Molecular Weight
460.95
Appearance
Oil
Purity
>95%
Density
1.2±0.1g/cm3
SMILES
CC(C)CC(=O)OCC1=CO[C@H]([C@H]2[C@@H]1C[C@@H]([C@@]2(CCl)O)OC(=O)C)OC(=O)CC(C)C
InChI
InChI=1S/C22H33ClO8/c1-12(2)6-18(25)28-9-15-10-29-21(31-19(26)7-13(3)4)20-16(15)8-17(30-14(5)24)22(20,27)11-23/h10,12-13,16-17,20-21,27H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1
InChI Key
QERAXRDNYJPTRN-PNBTUHDLSA-N
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