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(Q105260964)
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English
(E)-5-[(1S,2R,4aS,8aR)-4a,5-bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-[4a,5-Bis(hydroxymethyl)-1,2-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
336.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₂O₄
0 references
canonical SMILES
O=C(O)C=C(C)CCC1(C)C(C)CCC2(C(=CCCC21)CO)CO
0 references
isomeric SMILES
C/C(=C\C(=O)O)CC[C@@]1(C)[C@H](C)CC[C@@]2(CO)C(CO)=CCC[C@@H]21
0 references
found in taxon
Olearia teretifolia
1 reference
stated in
Clerodane and labdane derivatives from Olearia teretifolia
Identifiers
InChI
InChI=1S/C20H32O4/c1-14(11-18(23)24)7-9-19(3)15(2)8-10-20(13-22)16(12-21)5-4-6-17(19)20/h5,11,15,17,21-22H,4,6-10,12-13H2,1-3H3,(H,23,24)/b14-11+/t15-,17-,19+,20-/m1/s1
0 references
InChIKey
SUIJWPJRFXANRY-SYNBHEIUSA-N
0 references
PubChem CID
162969462
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SUIJWPJRFXANRY-SYNBHEIUSA-N
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