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(Q82002759)
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English
Carbonic acid, 2-hydroxypropyl (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
group of stereoisomers with the chemical formula C₁₄H₂₆O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
258.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₆O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)COC(=O)OC1CC(C)CCC1C(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(O)COC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15/h9-13,15H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1
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InChIKey
FLYJSXDJKBHQAU-IBSWDFHHSA-N
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CAS Registry Number
260781-16-6
1 reference
stated in
CAS Common Chemistry
retrieved
7 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=260781-16-6
InChIKey
FLYJSXDJKBHQAU-IBSWDFHHSA-N
PubChem CID
57509244
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
60559568
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID5074399
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DSSTOX compound identifier
DTXCID5037442
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DrugBank ID
14136
1 reference
stated in
DrugBank
DrugBank ID
14136
retrieved
6 July 2021
quotation
CAS no.: 260781-16-6
(English)
title
(-)-menthol 1-propylene glycol carbonate
(English)
Probes And Drugs ID
PD085636
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