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(3beta,20R)-Pregn-5-ene-3,17,20-triol
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
pregnane steroid
1 reference
based on heuristic
inferred from SMILES
mass
334.25079494799996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Pregn-5-ene-3,17,20-triol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₄O₃
0 references
canonical SMILES
CC(O)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O
0 references
Identifiers
InChI
InChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,13,15-18,22-24H,5-12H2,1-3H3/t13-,15+,16-,17+,18+,19+,20+,21+/m1/s1
0 references
InChIKey
XGUQCUDPXSTKLI-JGVMTBIOSA-N
0 references
CAS Registry Number
2204-13-9
0 references
PubChem CID
71751760
1 reference
matched by identifier from
InChIKey
InChIKey
XGUQCUDPXSTKLI-JGVMTBIOSA-N
UniChem compound ID
69947681
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10858332
1 reference
matched by identifier from
InChIKey
InChIKey
XGUQCUDPXSTKLI-JGVMTBIOSA-N
DSSTOX compound identifier
DTXCID80809073
0 references
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