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Calcaratarin D
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
CID 71550939
1 reference
based on heuristic
inferred from SMILES
3-[2-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethylidene]-4-hydroxyoxolan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
318.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
isocoronarin D
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3E,4S)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3E,4R)-3-[2-[(1S,4aS,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3E,4S)-3-[2-[(1S,4aS,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₃
0 references
canonical SMILES
O=C1OCC(O)C1=CCC2C(=C)CCC3C(C)(C)CCCC23C
0 references
isomeric SMILES
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1\C(=O)OC[C@H]1O
0 references
found in taxon
Alpinia calcarata
1 reference
stated in
Diterpenoids from the rhizomes of Alpinia calcarata
Identifiers
InChI
InChI=1S/C20H30O3/c1-13-6-9-17-19(2,3)10-5-11-20(17,4)15(13)8-7-14-16(21)12-23-18(14)22/h7,15-17,21H,1,5-6,8-12H2,2-4H3/b14-7-/t15-,16+,17-,20+/m0/s1
0 references
InChIKey
WCYYIFXENZTEHA-OXUFNSAQSA-N
0 references
PubChem CID
102007111
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WCYYIFXENZTEHA-OXUFNSAQSA-N
UniChem compound ID
96518124
1 reference
stated in
UniChem
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