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(Q63392845)
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English
(1R,3S,5S,8E,12S,13R)-12-hydroxy-5,9,13-trimethyl-16-methylidene-4,14-dioxatricyclo[11.3.2.03,5]octadec-8-en-15-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
12-Hydroxy-5,9,13-trimethyl-16-methylidene-4,14-dioxatricyclo[11.3.2.03,5]octadec-8-en-15-one
1 reference
based on heuristic
inferred from SMILES
Sinulariolide
1 reference
based on heuristic
inferred from SMILES
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,3S,5S,12S,13R)-12-hydroxy-5,9,13-trimethyl-16-methylidene-4,14-dioxatricyclo[11.3.2.03,5]octadec-8-en-15-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
11-epi-Sinulariolide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Episinulariolide
1 reference
based on heuristic
inferred from InChI
(1R,3R,5S,8Z,12S,13R)-12-hydroxy-5,9,13-trimethyl-16-methylidene-4,14-dioxatricyclo[11.3.2.03,5]octadec-8-en-15-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=C1OC2(C)CCC(C1=C)CC3OC3(C)CCC=C(C)CCC2O
0 references
isomeric SMILES
C/C/1=C\CC[C@]2([C@@H](O2)C[C@H]3CC[C@]([C@H](CC1)O)(OC(=O)C3=C)C)C
0 references
found in taxon
Sinularia flexibilis
1 reference
stated in
Sinulaflexiolides A-K, cembrane-type diterpenoids from the chinese soft coral Sinularia flexibilis
Sinularia capillosa
1 reference
stated in
A new cembranolide from the soft coral Sinularia capillosa
Identifiers
InChI
InChI=1S/C20H30O4/c1-13-6-5-10-20(4)17(23-20)12-15-9-11-19(3,16(21)8-7-13)24-18(22)14(15)2/h6,15-17,21H,2,5,7-12H2,1,3-4H3/b13-6+/t15-,16+,17+,19-,20+/m1/s1
0 references
InChIKey
FONRUOAYELOHDC-ZOOQSLMQSA-N
0 references
PubChem CID
15699347
1 reference
matched by identifier from
InChIKey
InChIKey
FONRUOAYELOHDC-ZOOQSLMQSA-N
UniChem compound ID
74010
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP010666
0 references
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