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(Q104952050)
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English
(6S,8S,11S)-6,11,15-trimethyl-3-propan-2-yl-7,16-dioxatricyclo[11.2.1.06,8]hexadeca-1(15),2,13-triene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cembrane
0 references
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2E,6S,8S,11S)-6,11,15-trimethyl-3-propan-2-yl-7,16-dioxatricyclo[11.2.1.06,8]hexadeca-1(15),2,13-triene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
O1C=2C=C(CCC3(OC3CCC(C)CC1=CC2C)C)C(C)C
0 references
isomeric SMILES
Cc1cc2oc1C=C(C(C)C)CC[C@]1(C)O[C@H]1CC[C@H](C)C2
0 references
found in taxon
Sinularia crassa
1 reference
stated in
Bioactive cembranoids from the soft coral Sinularia crassa
Identifiers
InChI
InChI=1S/C20H30O2/c1-13(2)16-8-9-20(5)19(22-20)7-6-14(3)10-17-11-15(4)18(12-16)21-17/h11-14,19H,6-10H2,1-5H3/t14-,19-,20-/m0/s1
0 references
InChIKey
CAYPXRVDKAIIKY-GKCIPKSASA-N
0 references
PubChem CID
162867907
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CAYPXRVDKAIIKY-GKCIPKSASA-N
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