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(Q82897478)
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English
3-Hydroxy-3a,6-dimethyl-1,2,3,3a,4,5,9,10,10a,11,11a,11b-dodecahydro-8H-cyclopenta[a]anthracen-8-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
286.193280072
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₆O₂
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canonical SMILES
CC1=C2CCC3(C)C(O)CCC3C2CC2CCC(=O)C=C12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=C2CC[C@]3([C@H]([C@@H]2C[C@H]4C1=CC(=O)CC4)CC[C@@H]3O)C
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Identifiers
InChI
InChI=1S/C19H26O2/c1-11-14-7-8-19(2)17(5-6-18(19)21)16(14)9-12-3-4-13(20)10-15(11)12/h10,12,16-18,21H,3-9H2,1-2H3/t12-,16+,17-,18-,19-/m0/s1
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InChIKey
HGULMTJPHPUFCN-WKCWRMMGSA-N
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CAS Registry Number
120542-29-2
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PubChem CID
129185
1 reference
matched by identifier from
InChIKey
InChIKey
HGULMTJPHPUFCN-WKCWRMMGSA-N
UniChem compound ID
51623699
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80923460
1 reference
matched by identifier from
InChIKey
InChIKey
HGULMTJPHPUFCN-WKCWRMMGSA-N
DSSTOX compound identifier
DTXCID201352313
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