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(Q82893188)
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English
Pregn-5-ene-3,17,20-triol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-(1-hydroxyethyl)-9a,11a-dimethyl-2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthrene-1,7-diol
1 reference
based on heuristic
inferred from SMILES
mass
334.250794948
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3beta,20R)-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
OC1CC2=CCC3C(CCC4(C)C3CCC4(O)C(O)C)C2(C)CC1
0 references
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
found in taxon
Periploca sepium
3 references
stated in
A New Cardenolide and Two New Pregnane Glycosides from the Root Barks of Periploca sepium
stated in
A New Pregnane and a New Diphenylmethane from the Root Barks ofPeriploca sepium
stated in
Five new C21 steroidal glycosides from Periploca sepium
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-/m0/s1
0 references
InChIKey
XGUQCUDPXSTKLI-PUOFRWEFSA-N
0 references
CAS Registry Number
903-67-3
0 references
PubChem CID
150863
1 reference
matched by identifier from
InChIKey
InChIKey
XGUQCUDPXSTKLI-PUOFRWEFSA-N
UniChem compound ID
29854302
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30920469
1 reference
matched by identifier from
InChIKey
InChIKey
XGUQCUDPXSTKLI-PUOFRWEFSA-N
DSSTOX compound identifier
DTXCID101349377
0 references
LIPID MAPS ID
LMST02030263
0 references
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