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(Q82006460)
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English
3,7-dimethyl-6,7-epoxy-1-nonen-3-yl acetate
chemical compound
2-Oxiranepropanol, .alpha.-ethenyl-3-ethyl-.alpha.,3-dimethyl-, 2-acetate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
226.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CC(C)(CCC1OC1(C)CC)OC(C)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H22O3/c1-6-12(4,15-10(3)14)9-8-11-13(5,7-2)16-11/h6,11H,1,7-9H2,2-5H3
0 references
InChIKey
ZQIIAKHOIHRGSM-UHFFFAOYSA-N
0 references
CAS Registry Number
1044-90-2
reason for deprecated rank
applies to other chemical entity
intended subject of deprecated statement
(3β,5β,16α)-16,17-epoxy-3-hydroxypregnan-20-one
0 references
10378-82-2
1 reference
InChIKey
ZQIIAKHOIHRGSM-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=10378-82-2
PubChem CID
112033
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
50101521
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70276114
0 references
DTXSID00884468
0 references
DSSTOX compound identifier
DTXCID70227464
0 references
DTXCID50876398
0 references
NSC number
21458
0 references
AICS Chemical ID (BEING DELETED)
12655
0 references
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