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English
14-Amino-20-hydroxypregnan-3-yl 6-deoxyhexopyranoside
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
481.34033822399994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₇NO₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)C1CCC2(N)C3CCC4CC(OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(O)[C@H]1CC[C@@]2(N)C3CCC4CC(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)C3CC[C@]12C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C27H47NO6/c1-14(29)18-9-12-27(28)20-6-5-16-13-17(34-24-23(32)22(31)21(30)15(2)33-24)7-10-25(16,3)19(20)8-11-26(18,27)4/h14-24,29-32H,5-13,28H2,1-4H3/t14?,15-,16?,17?,18-,19?,20?,21+,22+,23-,24+,25+,26-,27-/m1/s1
0 references
InChIKey
RHGPTBMIKFUPQA-MWTGQHQQSA-N
0 references
CAS Registry Number
90520-42-6
0 references
PubChem CID
128920
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
48286241
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70920342
0 references
DSSTOX compound identifier
DTXCID301349254
0 references
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