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(Q105001208)
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English
(3R,7S)-7-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-hydroxy-4,7-dihydro-3H-dioxepine-5-carbaldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
7-[(1R,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-hydroxy-4,7-dihydro-3H-dioxepine-5-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
Coronarin B
1 reference
based on heuristic
inferred from SMILES
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=CC1=CC(OOC(O)C1)C2C(=C)CCC3C(C)(C)CCCC23C
0 references
isomeric SMILES
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@@H]1C=C(C=O)C[C@H](O)OO1
0 references
found in taxon
Alpinia chinensis
1 reference
stated in
Labdane Diterpenoids fromAlpinia chinensis
Hedychium coronarium
2 references
stated in
Medicinal flowers. XXIV. Chemical structures and hepatoprotective effects of constituents from flowers of Hedychium coronarium
stated in
Labdane diterpenes from rhizomes of Hedychium coronarium
Zingiber ottensii
1 reference
stated in
Terpenoids and a diarylheptanoid from Zingiber ottensii
Identifiers
InChI
InChI=1S/C20H30O4/c1-13-6-7-16-19(2,3)8-5-9-20(16,4)18(13)15-10-14(12-21)11-17(22)24-23-15/h10,12,15-18,22H,1,5-9,11H2,2-4H3/t15-,16-,17+,18+,20-/m0/s1
0 references
InChIKey
FTQNGEYQJGYGFY-IPLXSBJHSA-N
0 references
PubChem CID
97046419
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
107923523
1 reference
stated in
UniChem
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