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(Q82033002)
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English
cholesta-2,4,6-triene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cholestane steroid
1 reference
based on heuristic
inferred from SMILES
mass
366.328651344
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8,9,11,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₄₂
0 references
canonical SMILES
CC(C)CCCC(C)C1CCC2C3C=CC4=CC=CCC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC=CC[C@]34C)C
0 references
Identifiers
InChI
InChI=1S/C27H42/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6-7,11-13,19-20,22-25H,8-10,14-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1
0 references
InChIKey
QIKNIWLZQDIZOC-HKQCOZBKSA-N
0 references
CAS Registry Number
13095-38-0
0 references
PubChem CID
261264
1 reference
matched by identifier from
InChIKey
InChIKey
QIKNIWLZQDIZOC-HKQCOZBKSA-N
UniChem compound ID
53606829
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40293974
1 reference
matched by identifier from
InChIKey
InChIKey
QIKNIWLZQDIZOC-HKQCOZBKSA-N
DSSTOX compound identifier
DTXCID80245114
0 references
NSC number
93240
0 references
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