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(Q82919085)
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English
6-Formyl-5'-hydroxy-5,5-dimethyl-8'-methylidene-1',9'-dioxohexahydro-1'H,3'H-spiro[cyclohexane-1,4'-[2]oxa[7,9a]methanocyclohepta[c]pyran]-2-yl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
404.183503236
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₈O₇
0 references
canonical SMILES
O=CC1C(C)(C)CCC(OC(=O)C)C21COC(=O)C34C(=O)C(=C)C(CC(O)C32)C4
0 references
found in taxon
Isodon rubescens
2 references
stated in
19-oxygenated ent-kaurane diterpenoids from Isodon pharicus
stated in
Antiproliferative Diterpenoids from the Leaves ofIsodon rubescens
Identifiers
InChI
InChI=1S/C22H28O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)28-10-22(17)15(9-23)20(3,4)6-5-16(22)29-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3
0 references
InChIKey
ORDKVFHKMGUXSQ-UHFFFAOYSA-N
0 references
CAS Registry Number
20086-59-3
0 references
PubChem CID
177797
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ORDKVFHKMGUXSQ-UHFFFAOYSA-N
UniChem compound ID
52184326
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00942113
1 reference
matched by identifier from
InChIKey
InChIKey
ORDKVFHKMGUXSQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID801370529
0 references
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