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(2S)-2-Hydroxy-2-methyl-3-chloropropanoic acid (3aR,9S)-8α,9β-dihydroxy-9-(chloromethyl)-3,6-bis(methylene)-2-oxo-2,3,3aβ,4,5,6,6aβ,7,8,9,9aβ,9bα-dodecahydroazuleno[4,5-b]furan-4β-yl ester

(2S)-2-Hydroxy-2-methyl-3-chloropropanoic acid (3aR,9S)-8α,9β-dihydroxy-9-(chloromethyl)-3,6-bis(methylene)-2-oxo-2,3,3aβ,4,5,6,6aβ,7,8,9,9aβ,9bα-dodecahydroazuleno[4,5-b]furan-4β-yl ester Structure
(2S)-2-Hydroxy-2-methyl-3-chloropropanoic acid (3aR,9S)-8α,9β-dihydroxy-9-(chloromethyl)-3,6-bis(methylene)-2-oxo-2,3,3aβ,4,5,6,6aβ,7,8,9,9aβ,9bα-dodecahydroazuleno[4,5-b]furan-4β-yl ester structure
CAS No.
37006-36-3
Chemical Name:
(2S)-2-Hydroxy-2-methyl-3-chloropropanoic acid (3aR,9S)-8α,9β-dihydroxy-9-(chloromethyl)-3,6-bis(methylene)-2-oxo-2,3,3aβ,4,5,6,6aβ,7,8,9,9aβ,9bα-dodecahydroazuleno[4,5-b]furan-4β-yl ester
Synonyms
C09359;Centaurepensin;Chlorohyssopifolin A;(S)-3-Chloro-2-hydroxy-2-methylpropionic acid [(3aR,6aβ,9aβ,9bα)-dodecahydro-9α-chloromethyl-8α,9β-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4β-yl] ester;Propanoic acid, 3-chloro-2-hydroxy-2-methyl-, (3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2S)-;(2S)-2-Hydroxy-2-methyl-3-chloropropanoic acid (3aR,9S)-8α,9β-dihydroxy-9-(chloromethyl)-3,6-bis(methylene)-2-oxo-2,3,3aβ,4,5,6,6aβ,7,8,9,9aβ,9bα-dodecahydroazuleno[4,5-b]furan-4β-yl ester
CBNumber:
CB22354327
Molecular Formula:
C19H24Cl2O7
Molecular Weight:
435.3
MDL Number:
MOL File:
37006-36-3.mol
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(2S)-2-Hydroxy-2-methyl-3-chloropropanoic acid (3aR,9S)-8α,9β-dihydroxy-9-(chloromethyl)-3,6-bis(methylene)-2-oxo-2,3,3aβ,4,5,6,6aβ,7,8,9,9aβ,9bα-dodecahydroazuleno[4,5-b]furan-4β-yl ester Properties

Melting point 214-215 °C
Boiling point 624.8±55.0 °C(Predicted)
Density 1.41 g/cm3
pka 11.77±0.29(Predicted)

(2S)-2-Hydroxy-2-methyl-3-chloropropanoic acid (3aR,9S)-8α,9β-dihydroxy-9-(chloromethyl)-3,6-bis(methylene)-2-oxo-2,3,3aβ,4,5,6,6aβ,7,8,9,9aβ,9bα-dodecahydroazuleno[4,5-b]furan-4β-yl ester Preparation Products And Raw materials

Raw materials

Preparation Products

(2S)-2-Hydroxy-2-methyl-3-chloropropanoic acid (3aR,9S)-8α,9β-dihydroxy-9-(chloromethyl)-3,6-bis(methylene)-2-oxo-2,3,3aβ,4,5,6,6aβ,7,8,9,9aβ,9bα-dodecahydroazuleno[4,5-b]furan-4β-yl ester (S)-3-Chloro-2-hydroxy-2-methylpropionic acid [(3aR,6aβ,9aβ,9bα)-dodecahydro-9α-chloromethyl-8α,9β-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4β-yl] ester Centaurepensin Chlorohyssopifolin A C09359 Propanoic acid, 3-chloro-2-hydroxy-2-methyl-, (3aR,4S,6aR,8S,9S,9aS,9bS)-9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno[4,5-b]furan-4-yl ester, (2S)- 37006-36-3