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(Q82881767)
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English
methyl (2S,4aS,6aR,7R,10aR,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1,2,4a,5,6,7,10,10a-octahydrobenzo[f]isochromene-7-carboperoxoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
374.172938552
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₆O₆
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canonical SMILES
O=C(OOC)C1C=CCC2C1(C)CCC3C(=O)OC(C4=COC=C4)CC32C
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isomeric SMILES
C[C@@]12CC[C@@H]3C(=O)O[C@@H](C[C@@]3([C@H]1CC=C[C@H]2C(=O)OOC)C)C4=COC=C4
0 references
found in taxon
Aparisthmium cordatum
2 references
stated in
Cordatin, a new diterpene from Aparisthmium cordatum
stated in
Evaluation of the gastroprotective activity of cordatin, a diterpene isolated from Aparisthmium cordatum (Euphorbiaceae)
Croton polyandrus
1 reference
stated in
Diterpenes from Croton salutaris
Identifiers
InChI
InChI=1S/C21H26O6/c1-20-9-7-15-18(22)26-16(13-8-10-25-12-13)11-21(15,2)17(20)6-4-5-14(20)19(23)27-24-3/h4-5,8,10,12,14-17H,6-7,9,11H2,1-3H3/t14-,15+,16-,17-,20-,21-/m0/s1
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InChIKey
WWNSNGUKDURAJG-FMZZOXHWSA-N
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CAS Registry Number
110382-43-9
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PubChem CID
194856
1 reference
matched by identifier from
InChIKey
InChIKey
WWNSNGUKDURAJG-FMZZOXHWSA-N
UniChem compound ID
49648519
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70911619
1 reference
matched by identifier from
InChIKey
InChIKey
WWNSNGUKDURAJG-FMZZOXHWSA-N
DSSTOX compound identifier
DTXCID301340652
0 references
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