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(Q77310384)
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English
pimara-7,15-diene
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene
1 reference
based on heuristic
inferred from SMILES
mass
272.250401024
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(2R,4aR,4bR,8aR)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
syn-isopimara-7,15-diene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
isopimara-7,15-diene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
9beta-pimara-7,15-diene
1 reference
based on heuristic
inferred from InChI
(2R,4As,4bS,8aS)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene
1 reference
based on heuristic
inferred from InChI
(2S,4aS,4bS,8aR)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene
1 reference
based on heuristic
inferred from InChI
Pimara-7,15-diene
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂
0 references
canonical SMILES
C=CC1(C)CC2=CCC3C(C)(C)CCCC3(C)C2CC1
0 references
isomeric SMILES
C=C[C@]1(C)CCC2C(=CC[C@H]3C(C)(C)CCC[C@]23C)C1
0 references
Identifiers
InChI
InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16?,17-,19+,20+/m0/s1
0 references
InChIKey
VCOVNILQQQZROK-KSRCZVEISA-N
2 references
stated in
PubChem
PubChem CID
25245452
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
25245452
language of work or name
English
PubChem CID
25245452
2 references
stated in
PubChem
PubChem CID
25245452
language of work or name
English
matched by identifier from
InChIKey
InChIKey
VCOVNILQQQZROK-KSRCZVEISA-N
ChEBI ID
201643
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16?,17-,19+,20+/m0/s1
UniChem compound ID
55316893
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA004478
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VCOVNILQQQZROK-KSRCZVEISA-N
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