(Q105143251)

English

[(1R,3E,7E,11R,12S,16S)-1-hydroxy-3,7-dimethyl-15-methylidene-14-oxo-13,17-dioxatricyclo[9.5.1.112,16]octadeca-3,7-dien-11-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[(1S,3E,7Z,11S,16R)-1-hydroxy-3,7-dimethyl-15-methylidene-14-oxo-13,17-dioxatricyclo[9.5.1.1¹²,¹⁶]octadeca-3,7-dien-11-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

(1-Hydroxy-3,7-dimethyl-15-methylidene-14-oxo-13,17-dioxatricyclo[9.5.1.112,16]octadeca-3,7-dien-11-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

390.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3E,7Z,11S,12R,16R)-1-hydroxy-3,7-dimethyl-15-methylidene-14-oxo-13,17-dioxatricyclo[9.5.1.112,16]octadeca-3,7-dien-11-yl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,3E,7Z,11R,12R,16R)-1-hydroxy-3,7-dimethyl-15-methylidene-14-oxo-13,17-dioxatricyclo[9.5.1.112,16]octadeca-3,7-dien-11-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

[(1S,3E,7E,11R,12R,16R)-1-hydroxy-3,7-dimethyl-15-methylidene-14-oxo-13,17-dioxatricyclo[9.5.1.112,16]octadeca-3,7-dien-11-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₆

0 references

canonical SMILES

O=C1OC2CC(C1=C)C3(O)OC2(COC(=O)C)CCC=C(C)CCC=C(C)C3

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isomeric SMILES

C=C1C(=O)O[C@H]2C[C@@H]1[C@@]1(O)C/C(C)=C/CC/C(C)=C/CC[C@]2(COC(C)=O)O1

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found in taxon

Lobophytum durum

1 reference

stated in

Unprecedented hemiketal cembranolides with anti-inflammatory activity from the soft coral Lobophytum durum.

Identifiers

InChI

InChI=1S/C22H30O6/c1-14-7-5-8-15(2)12-22(25)18-11-19(27-20(24)16(18)3)21(28-22,10-6-9-14)13-26-17(4)23/h8-9,18-19,25H,3,5-7,10-13H2,1-2,4H3/b14-9+,15-8+/t18-,19-,21+,22+/m0/s1

0 references

InChIKey

KMXSIXIXRFATQL-GRLVBMDSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KMXSIXIXRFATQL-GRLVBMDSSA-N

(Q105143251)

[(1R,3E,7E,11R,12S,16S)-1-hydroxy-3,7-dimethyl-15-methylidene-14-oxo-13,17-dioxatricyclo[9.5.1.112,16]octadeca-3,7-dien-11-yl]methyl acetate

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Identifiers

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