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(Q82954185)
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English
3,14-Dihydroxy-3-methylcard-20(22)-enolide
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
388.26135963199994
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₃₆O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1(O)CCC2(C)C(CCC3C2CCC2(C)C(C4=CC(=O)OC4)CCC32O)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@]1(O)CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CCC32O)C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C24H36O4/c1-21(26)10-11-22(2)16(13-21)4-5-19-18(22)6-8-23(3)17(7-9-24(19,23)27)15-12-20(25)28-14-15/h12,16-19,26-27H,4-11,13-14H2,1-3H3/t16-,17-,18+,19-,21-,22+,23-,24?/m1/s1
0 references
InChIKey
GWHJWJZEZYIWNA-XSMVBTPTSA-N
0 references
CAS Registry Number
55547-62-1
0 references
PubChem CID
171456
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
67288831
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70970887
0 references
DSSTOX compound identifier
DTXCID201398410
0 references
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