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(Q82665048)
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English
(3S,10R,13S,14S)-10,13-Dimethyl-1,2,3,4,7,8,9,10,11,12,13,14-dodecahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolan]-3-ol
group of stereoisomers with the chemical formula C₂₁H₃₀O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
330.21949481999997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CCC(O)CC1=CCC1C2CCC2(C)C1C=CC21OCCO1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC[C@H](O)CC1=CCC1C2CC[C@@]2(C)[C@H]1C=CC21OCCO1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H30O3/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h3,7,10,15-18,22H,4-6,8-9,11-13H2,1-2H3/t15-,16?,17?,18-,19-,20-/m0/s1
0 references
InChIKey
BWBMWZXXSHJJBP-WDYMLGBMSA-N
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CAS Registry Number
17921-62-9
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PubChem CID
57370712
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
54892210
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30724762
0 references
DSSTOX compound identifier
DTXCID70675507
0 references
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