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(Q105347592)
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English
(1S,3S,5S,15S,18S)-18-(chloromethyl)-18-hydroxy-5,9,13-trimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cembrane
0 references
mass
368.175437088
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,3S,5S,8E,12E,15S,18S)-18-(chloromethyl)-18-hydroxy-5,9,13-trimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₉ClO₄
0 references
canonical SMILES
O=C1OC2CC(=CCCC(=CCCC3(OC3CC2C1(O)CCl)C)C)C
0 references
isomeric SMILES
CC1=CCC[C@]2(C)O[C@H]2C[C@H]2[C@H](CC(C)=CCC1)OC(=O)[C@]2(O)CCl
0 references
found in taxon
Lobophytum crassum
1 reference
stated in
Lobocrassins A-E: new cembrane-type diterpenoids from the soft coral Lobophytum crassum.
Identifiers
InChI
InChI=1S/C20H29ClO4/c1-13-6-4-7-14(2)10-16-15(20(23,12-21)18(22)24-16)11-17-19(3,25-17)9-5-8-13/h7-8,15-17,23H,4-6,9-12H2,1-3H3/t15-,16-,17-,19-,20-/m0/s1
0 references
InChIKey
YFHXUIYDACZSAY-TXTPUJOMSA-N
0 references
PubChem CID
162939293
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YFHXUIYDACZSAY-TXTPUJOMSA-N
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