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(Q105142293)
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English
8-isothiocyanato-4a,8-dimethyl-2-prop-1-en-2-yl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-ol
group of stereoisomers with the chemical formula C₁₆H₂₅NOS
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Statements
instance of
group of stereoisomers
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subclass of
eudesmane sesquiterpenoid
1 reference
inferred from
eudesmane sesquiterpenoid
mass
279.16568542
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₅NOS
0 references
canonical SMILES
S=C=NC1(C)CCCC2(C)CCC(O)(C(=C)C)CC12
0 references
found in taxon
Axinyssa
1 reference
stated in
Sesquiterpenes from the sponge Axinyssa isabela.
Identifiers
InChI
InChI=1S/C16H25NOS/c1-12(2)16(18)9-8-14(3)6-5-7-15(4,17-11-19)13(14)10-16/h13,18H,1,5-10H2,2-4H3
0 references
InChIKey
KKOPPOVHLGSDFF-UHFFFAOYSA-N
0 references
PubChem CID
74399817
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KKOPPOVHLGSDFF-UHFFFAOYSA-N
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