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(Q107914723)
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English
(8R,9S,10R,13S,14S,17S)-17-hydroxy-4,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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 SMILES
chemical formula
C₂₁H₃₂O₂
1 reference
PubChem CID
21119907
retrieved
12 June 2021
canonical SMILES
CC1=C2CCC3C(C2(CCC1=O)C)CCC4(C3CCC4(C)O)C
1 reference
PubChem CID
21119907
retrieved
12 June 2021
isomeric SMILES
CC1=C2CC[C@@H]3[C@@H]([C@]2(CCC1=O)C)CC[C@]4([C@H]3CC[C@]4(C)O)C
1 reference
PubChem CID
21119907
retrieved
12 June 2021
melting point
142.5±1.5
degree Celsius
1 reference
stated in
Melting Point and Pyrolysis Point Data for Tens of Thousands of Chemicals
Identifiers
InChI
InChI=1S/C21H32O2/c1-13-15-6-5-14-16(19(15,2)10-9-18(13)22)7-11-20(3)17(14)8-12-21(20,4)23/h14,16-17,23H,5-12H2,1-4H3/t14-,16+,17+,19+,20+,21+/m1/s1
1 reference
PubChem CID
21119907
retrieved
12 June 2021
InChIKey
QVYNWPHQQYUBFK-FNEKEKTMSA-N
1 reference
PubChem CID
21119907
retrieved
12 June 2021
CAS Registry Number
28626-76-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
21119907
1 reference
retrieved
12 June 2021
UniChem compound ID
25195185
1 reference
stated in
UniChem
UNII
9P9Y928AZX
1 reference
matched by identifier from
InChIKey
InChIKey
QVYNWPHQQYUBFK-FNEKEKTMSA-N
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