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(Q105219391)
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English
(5R,6S,9R,10R)-10-isothiocyanato-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
10-Isothiocyanato-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene
1 reference
based on heuristic
inferred from SMILES
mass
263.1707708
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(5R,6S,9R,10S)-10-isothiocyanato-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-ene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Axisothiocyanate 3
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₅NS
0 references
canonical SMILES
S=C=NC1C(CCC(C)C21C=C(C)CC2)C(C)C
0 references
isomeric SMILES
CC1=C[C@@]2(CC1)[C@@H](C)CC[C@H](C(C)C)[C@H]2N=C=S
0 references
found in taxon
Acanthella cavernosa
1 reference
stated in
New Isocyano and Isothiocyanato Terpene Metabolites from the Tropical Marine Sponge Acanthella cavernosa
Identifiers
InChI
InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(15(14)17-10-18)8-7-12(3)9-16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15+,16-/m0/s1
0 references
InChIKey
QEUKPIZJCSOXDW-JJXSEGSLSA-N
0 references
PubChem CID
162939295
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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