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(Q82894376)
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English
2,3,14,20,22-Pentahydroxy-26-iodocholest-7-en-6-one
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
590.2104370959999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₃IO₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(CI)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(CI)CCC(O)[C@](C)(O)[C@H]1CCC2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C27H43IO6/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,30-34H,5-10,12-14H2,1-4H3/t15?,16-,18-,20+,21-,22-,23?,24+,25+,26+,27?/m0/s1
0 references
InChIKey
OFAWDAXRJPJULO-GRIYGNIGSA-N
0 references
CAS Registry Number
114752-28-2
0 references
PubChem CID
195114
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
50646619
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80921486
0 references
DSSTOX compound identifier
DTXCID201350379
0 references
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