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(Q105215087)
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English
(3S)-5-[(1S,5S,6R,8aR)-5,6,8a-trimethyl-hexahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl]-3-methylpentanoic acid
group of stereoisomers with the chemical formula C₂₀H₃₄O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
clerodane diterpenoid
1 reference
inferred from
clerodane diterpenoid
mass
322.25079494799996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₃₄O₃
0 references
canonical SMILES
O=C(O)CC(C)CCC1(C)C(C)CCC2(C)C1CCCC32OC3
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isomeric SMILES
C[C@@H](CC[C@]1(C)C2CCC[C@@]3(CO3)[C@]2(C)CC[C@H]1C)CC(=O)O
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Identifiers
InChI
InChI=1S/C20H34O3/c1-14(12-17(21)22)7-10-18(3)15(2)8-11-19(4)16(18)6-5-9-20(19)13-23-20/h14-16H,5-13H2,1-4H3,(H,21,22)/t14-,15+,16?,18-,19+,20+/m0/s1
0 references
InChIKey
PUHARPBFZXPUIA-FNSWVEFCSA-N
0 references
PubChem CID
163193222
1 reference
based on heuristic
inferred from InChIKey
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