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(Q82950065)
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English
1-Ethynyl-7,8a,10a-trimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
316.240230264
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₃₂O₂
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canonical SMILES
C#CC1(O)CCC2C3CCC4CC(C)(O)CC4(C)C3CCC21C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4[C@@]3(C[C@](C4)(C)O)C
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Identifiers
InChI
InChI=1S/C21H32O2/c1-5-21(23)11-9-17-15-7-6-14-12-18(2,22)13-19(14,3)16(15)8-10-20(17,21)4/h1,14-17,22-23H,6-13H2,2-4H3/t14-,15+,16-,17-,18+,19-,20-,21-/m0/s1
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InChIKey
AVMGEEZXZUABHL-YRWKUUEZSA-N
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CAS Registry Number
53-38-3
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PubChem CID
3037969
1 reference
matched by identifier from
InChIKey
InChIKey
AVMGEEZXZUABHL-YRWKUUEZSA-N
UniChem compound ID
58610416
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60967468
1 reference
matched by identifier from
InChIKey
InChIKey
AVMGEEZXZUABHL-YRWKUUEZSA-N
DSSTOX compound identifier
DTXCID901395067
0 references
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