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(Q105129547)
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English
N-[8-(5-chloro-2,6,6-trimethyloxan-2-yl)-2-hydroxy-5-isothiocyanato-2,5-dimethyl-1,3,4,4a,6,7,8,8a-octahydronaphthalen-1-yl]formamide
group of stereoisomers with the chemical formula C₂₂H₃₅ClN₂O₃S
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Statements
instance of
group of stereoisomers
0 references
subclass of
serrulatane diterpenoid
1 reference
inferred from
serrulatane diterpenoid
mass
442.20569166
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₅ClN₂O₃S
0 references
canonical SMILES
CC1(O)CCC2C(C1NC=O)C(C1(C)CCC(Cl)C(C)(C)O1)CCC2(C)N=C=S
0 references
found in taxon
Acanthella cavernosa
1 reference
stated in
Kalihinols from two Acanthella cavernosa sponges: inhibitors of bacterial folate biosynthesis
Identifiers
InChI
InChI=1S/C22H35ClN2O3S/c1-19(2)16(23)8-11-22(5,28-19)15-6-9-20(3,25-13-29)14-7-10-21(4,27)18(17(14)15)24-12-26/h12,14-18,27H,6-11H2,1-5H3,(H,24,26)
0 references
InChIKey
JJCHVOBKBZMVBH-UHFFFAOYSA-N
0 references
PubChem CID
74000026
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JJCHVOBKBZMVBH-UHFFFAOYSA-N
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