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(Q104959770)
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English
[(4S,5R,9S,10S,13S)-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-5-yl]methanol
group of stereoisomers with the chemical formula C₂₀H₃₂O
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Statements
instance of
group of stereoisomers
0 references
subclass of
beyerane diterpenoid
1 reference
inferred from
beyerane diterpenoid
mass
288.245315644
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₃₂O
0 references
canonical SMILES
OCC1(C)CCCC2(C)C3CCC4(C=CC3(CCC12)C4)C
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isomeric SMILES
C[C@]12C=CC3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO)[C@@H]3CC1)C2
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Identifiers
InChI
InChI=1S/C20H32O/c1-17-9-5-16-19(3)8-4-7-18(2,14-21)15(19)6-10-20(16,13-17)12-11-17/h11-12,15-16,21H,4-10,13-14H2,1-3H3/t15-,16+,17-,18+,19-,20?/m1/s1
0 references
InChIKey
CIGQQQTZOIDQQR-IDLWGLDASA-N
0 references
PubChem CID
163187612
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CIGQQQTZOIDQQR-IDLWGLDASA-N
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