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English
24,25-Epoxycholestan-3-ol
group of stereoisomers with the chemical formula C₂₇H₄₆O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
402.349780712
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₆O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(CCC1OC1(C)C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](CCC1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C27H46O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14-26(18,4)23(20)13-15-27(21,22)5/h17-24,28H,6-16H2,1-5H3/t17-,18-,19-,20+,21-,22+,23+,24?,26+,27-/m1/s1
0 references
InChIKey
YQSDWDVBVFDTRZ-AYFKJPLJSA-N
0 references
CAS Registry Number
68138-65-8
0 references
PubChem CID
125682
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
YQSDWDVBVFDTRZ-AYFKJPLJSA-N
UniChem compound ID
64018317
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70987637
1 reference
matched by identifier from
InChIKey
InChIKey
YQSDWDVBVFDTRZ-AYFKJPLJSA-N
DSSTOX compound identifier
DTXCID201414795
0 references
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