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(Q82805054)
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English
(8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-(6-methylheptan-2-yl)hexadecahydrospiro[cyclopenta[a]phenanthrene-6,1'-cyclopropane]
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
398.3912516
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₅₀
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)CCCC(C)C1CCC2C3CC4(CC4)C4CCCCC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(CC4)C4CCCC[C@]4(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C29H50/c1-20(2)9-8-10-21(3)23-12-13-24-22-19-29(17-18-29)26-11-6-7-15-28(26,5)25(22)14-16-27(23,24)4/h20-26H,6-19H2,1-5H3/t21-,22+,23-,24+,25+,26?,27-,28-/m1/s1
0 references
InChIKey
NIYMXZUMDBPQCY-OQJXAEAASA-N
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CAS Registry Number
64236-37-9
0 references
PubChem CID
71401464
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
55861970
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20822509
0 references
DSSTOX compound identifier
DTXCID90773251
0 references
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