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(Q83001290)
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English
7-Hydroxy-2a-methyl-8-methylidenedodecahydro-2H,6H,12H-6a,9-methano-1,5,13-trioxacyclohepta[a]pentaleno[1,6-hi]naphthalen-6-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1S,5R,7R,8S,11S,14R,20R)-7-hydroxy-14-methyl-6-methylidene-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosan-9-one
1 reference
based on heuristic
inferred from SMILES
mass
346.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆O₅
0 references
canonical SMILES
O=C1OC2CCC3(C)COC4OCC2(C5CCC6C(=C)C(O)C15C6)C43
0 references
found in taxon
Isodon macrocalyx
1 reference
stated in
ent-Kaurane and cembrane diterpenoids from Isodon sculponeatus and their cytotoxicity
Identifiers
InChI
InChI=1S/C20H26O5/c1-10-11-3-4-12-19(7-11,15(10)21)17(22)25-13-5-6-18(2)8-23-16-14(18)20(12,13)9-24-16/h11-16,21H,1,3-9H2,2H3
0 references
InChIKey
QALWKTNRDDDECH-UHFFFAOYSA-N
0 references
CAS Registry Number
85287-58-7
0 references
PubChem CID
174438
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QALWKTNRDDDECH-UHFFFAOYSA-N
UniChem compound ID
47968164
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701005777
1 reference
matched by identifier from
InChIKey
InChIKey
QALWKTNRDDDECH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID101432655
0 references
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