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(Q82956125)
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English
3-(Acetyloxy)-14-hydroxy-6-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
430.27192431599997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₃₈O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)OC1CCC2(C)C(C1)C(C)CC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CCC4(O)[C@@H]3C[C@H](C)[C@@H]2C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C26H38O5/c1-15-11-22-20(24(3)8-5-18(13-21(15)24)31-16(2)27)6-9-25(4)19(7-10-26(22,25)29)17-12-23(28)30-14-17/h12,15,18-22,29H,5-11,13-14H2,1-4H3/t15-,18-,19+,20-,21-,22+,24+,25+,26?/m0/s1
0 references
InChIKey
PJPFWSFGUWXFDK-QTDRMFERSA-N
0 references
CAS Registry Number
56931-93-2
0 references
PubChem CID
3044214
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
63259876
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50972369
0 references
DSSTOX compound identifier
DTXCID801399842
0 references
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