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(Q105033652)
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English
(3R,4aR,5R,8aR)-5-isothiocyanato-5,8a-dimethyl-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
eudesmane sesquiterpenoid
0 references
mass
263.1707708
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
5-isothiocyanato [C16H25N]
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₅NS
0 references
canonical SMILES
S=C=NC1(C)CCCC2(C)CCC(C(=C)C)CC12
0 references
isomeric SMILES
C=C(C)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(N=C=S)[C@@H]2C1
0 references
found in taxon
Cadlina luteomarginata
1 reference
stated in
Acanthenes A to C: a chloro, isothiocyanate, formamide sesquiterpene triad isolated from the Northeastern Pacific marine sponge Acanthella sp. and the dorid nudibranch Cadlina luteomarginata
Identifiers
InChI
InChI=1S/C16H25NS/c1-12(2)13-6-9-15(3)7-5-8-16(4,17-11-18)14(15)10-13/h13-14H,1,5-10H2,2-4H3/t13-,14-,15-,16-/m1/s1
0 references
InChIKey
HTWIRGRTEPTBCC-KLHDSHLOSA-N
0 references
PubChem CID
23427224
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HTWIRGRTEPTBCC-KLHDSHLOSA-N
UniChem compound ID
153217
1 reference
stated in
UniChem
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