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(Q105021567)
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English
4-[2-[(1S,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2(5H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-
1 reference
based on heuristic
inferred from SMILES
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(9R,10S)-3alpha,15,18-Trihydroxylabda-8(20),13-dien-16-oic acid 16,15-lactone
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
4-[2-[(1S,4aR,5S,6S,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
11-Deoxyandrographolide
1 reference
based on heuristic
inferred from InChI
Deoxyandrographolide
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=C1OCC=C1CCC2C(=C)CCC3C(C)(CO)C(O)CCC23C
0 references
isomeric SMILES
C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1CCC1=CCOC1=O
0 references
found in taxon
Andrographis paniculata
1 reference
stated in
Minor diterpenoid constituents of Andrographis paniculata Nees
Identifiers
InChI
InChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16-,17+,19-,20-/m0/s1
0 references
InChIKey
GVRNTWSGBWPJGS-GCLMUHHRSA-N
0 references
PubChem CID
124708053
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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