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Pteroside D
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
illudalane sesquiterpenoid
0 references
mass
410.19406792
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3S)-3-hydroxy-2,2,5,7-tetramethyl-6-[2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₀O₈
0 references
canonical SMILES
O=C1C2=C(C(=C(C=C2C(O)C1(C)C)C)CCOC3OC(CO)C(O)C(O)C3O)C
0 references
isomeric SMILES
CC1=CC2=C(C(=C1CCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)C(=O)C([C@H]2O)(C)C
0 references
found in taxon
Pteridium aquilinum
1 reference
stated in
Structure of Pteroside Z and D, Glycosides of Pteridium aquilinum var. latiusculum
Identifiers
InChI
InChI=1S/C21H30O8/c1-9-7-12-14(19(27)21(3,4)18(12)26)10(2)11(9)5-6-28-20-17(25)16(24)15(23)13(8-22)29-20/h7,13,15-18,20,22-26H,5-6,8H2,1-4H3/t13-,15-,16+,17-,18+,20-/m1/s1
0 references
InChIKey
TUGWHBZURNWRDG-LNZAMEHWSA-N
0 references
CAS Registry Number
35943-38-5
1 reference
InChIKey
TUGWHBZURNWRDG-LNZAMEHWSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=35943-38-5
PubChem CID
169738
1 reference
matched by identifier from
InChIKey
InChIKey
TUGWHBZURNWRDG-LNZAMEHWSA-N
ChEBI ID
176018
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H30O8/c1-9-7-12-14(19(27)21(3,4)18(12)26)10(2)11(9)5-6-28-20-17(25)16(24)15(23)13(8-22)29-20/h7,13,15-18,20,22-26H,5-6,8H2,1-4H3/t13-,15-,16+,17-,18+,20-/m1/s1
UniChem compound ID
46142888
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70957350
1 reference
matched by identifier from
InChIKey
InChIKey
TUGWHBZURNWRDG-LNZAMEHWSA-N
DSSTOX compound identifier
DTXCID201385291
0 references
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