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(Q76535437)
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English
(1R,4aS,5S,8aS)-5-[(E)-4-hydroxy-4-methylpent-2-enyl]-5,8a-dimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
sacculatane diterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
318.21949481999997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(1R,4aR,5S,8aS)-5-[(E)-4-hydroxy-4-methylpent-2-enyl]-5,8a-dimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,4aR,5S,8aS)-5-[(E)-4-hydroxy-4-methylpent-2-enyl]-5,8a-dimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₃
0 references
canonical SMILES
CC(C)(O)C=CCC1(C)CCCC2(C)C(C=O)C(C=O)=CCC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]1(CCC[C@]2([C@H]1CC=C([C@@H]2C=O)C=O)C)C/C=C/C(C)(C)O
0 references
Identifiers
InChI
InChI=1S/C20H30O3/c1-18(2,23)9-5-10-19(3)11-6-12-20(4)16(14-22)15(13-21)7-8-17(19)20/h5,7,9,13-14,16-17,23H,6,8,10-12H2,1-4H3/b9-5+/t16-,17-,19+,20+/m0/s1
0 references
InChIKey
NLSLPFHXVAAAEH-QVBKECMHSA-N
0 references
PubChem CID
42608266
1 reference
matched by identifier from
InChIKey
InChIKey
NLSLPFHXVAAAEH-QVBKECMHSA-N
ChEBI ID
185546
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H30O3/c1-18(2,23)9-5-10-19(3)11-6-12-20(4)16(14-22)15(13-21)7-8-17(19)20/h5,7,9,13-14,16-17,23H,6,8,10-12H2,1-4H3/b9-5+/t16-,17-,19+,20+/m0/s1
UniChem compound ID
45067672
1 reference
stated in
UniChem
LIPID MAPS ID
LMPR0104500002
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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