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(Q76009804)
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English
(8R,9S,13S,14S,17S)-13-ethyl-3-methoxy-1,4,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
302.2245802
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
CCC12CCC3C4=C(CCC3C1CCC2O)CC(OC)=CC4
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3CC=C(C4)OC
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Identifiers
InChI
InChI=1S/C20H30O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,16-19,21H,3-4,6-12H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
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InChIKey
DKGAZBPXLWEBPI-SLHNCBLASA-N
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CAS Registry Number
1038-28-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
14507-49-4
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
101950
0 references
UniChem compound ID
22699114
1 reference
stated in
UniChem
UNII
8ERD33FFH7
1 reference
matched by identifier from
InChIKey
InChIKey
DKGAZBPXLWEBPI-SLHNCBLASA-N
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