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(Q77570821)
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English
3 beta,19-dihydroxylabda-8(17),11 E-dien-16,15-olide
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
3-[(E)-2-[(1S,4aR,5S,6S,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]oxolan-2-one
1 reference
based on heuristic
inferred from SMILES
3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]oxolan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
13R,3beta,19-dihydroxylabda-8(17),11E-dien-16,15-olide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=C1OCCC1C=CC2C(=C)CCC3C(C)(CO)C(O)CCC23C
0 references
isomeric SMILES
C[C@]12CC[C@@H]([C@]([C@@H]1CCC(=C)[C@@H]2/C=C/[C@@H]3CCOC3=O)(C)CO)O
0 references
found in taxon
Taiwanofungus camphoratus
2 references
stated in
Neuroprotective diterpenes from the fruiting body of Antrodia camphorata.
stated in
Neuroprotective diterpenes from the fruiting body of Antrodia camphorata.
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/h5-6,14-17,21-22H,1,4,7-12H2,2-3H3/b6-5+/t14-,15+,16-,17+,19-,20-/m1/s1
0 references
InChIKey
OIUNBCUWBQRQCS-ODUUZDKQSA-N
2 references
stated in
PubChem
PubChem CID
11645698
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
11645698
language of work or name
English
PubChem CID
11645698
2 references
stated in
PubChem
PubChem CID
11645698
language of work or name
English
matched by identifier from
InChIKey
InChIKey
OIUNBCUWBQRQCS-ODUUZDKQSA-N
ChEBI ID
222013
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
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/h5-6,14-17,21-22H,1,4,7-12H2,2-3H3/b6-5+/t14-,15+,16-,17+,19-,20-/m1/s1
UniChem compound ID
32544397
1 reference
stated in
UniChem
NMRShiftDB structure ID
20103720
1 reference
matched by identifier from
InChIKey
InChIKey
OIUNBCUWBQRQCS-ODUUZDKQSA-N
Natural Product Atlas ID
NPA016340
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OIUNBCUWBQRQCS-ODUUZDKQSA-N
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