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(Q82877475)
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English
4,4,8,10,14-Pentamethylgon-16-en-3-one
group of stereoisomers with the chemical formula C₂₂H₃₄O
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
314.260965708
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₂H₃₄O
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canonical SMILES
O=C1CCC2(C)C(CCC3(C)C2CCC4C=CCC43C)C1(C)C
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isomeric SMILES
CC1(C)C(=O)CC[C@@]2(C)[C@H]1CCC1(C)[C@@H]2CC[C@@H]2C=CCC21C
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Identifiers
InChI
InChI=1S/C22H34O/c1-19(2)16-10-14-22(5)17(20(16,3)13-11-18(19)23)9-8-15-7-6-12-21(15,22)4/h6-7,15-17H,8-14H2,1-5H3/t15-,16-,17+,20-,21?,22?/m0/s1
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InChIKey
SCVQXPPZHIKYMJ-DHEJPUEPSA-N
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CAS Registry Number
102848-61-3
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PubChem CID
128179
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
54020777
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10908088
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DSSTOX compound identifier
DTXCID601337175
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