(Q104996653)

English

[(1R,3S,4R,7R,11R,12R)-3-hydroxy-4,12-dimethyl-8,15-dimethylidene-14-oxo-13,18-dioxatricyclo[10.3.2.14,7]octadecan-11-yl] acetate

chemical compound

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No label defined

No description defined

Statements

type of chemical entity

0 references

(3-Hydroxy-4,12-dimethyl-8,15-dimethylidene-14-oxo-13,18-dioxatricyclo[10.3.2.14,7]octadecan-11-yl) acetate

1 reference

based on heuristic

inferred from SMILES

392.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₂O₆

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canonical SMILES

O=C1OC2(C)CCC(C1=C)CC(O)C3(OC(C(=C)CCC2OC(=O)C)CC3)C

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isomeric SMILES

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

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Sinularia granosa

1 reference

Anti-inflammatory cembranoids from the soft corals Sinularia querciformis and Sinularia granosa

Identifiers

InChI=1S/C22H32O6/c1-13-6-7-19(26-15(3)23)22(5)10-8-16(14(2)20(25)28-22)12-18(24)21(4)11-9-17(13)27-21/h16-19,24H,1-2,6-12H2,3-5H3/t16-,17-,18+,19-,21-,22-/m1/s1

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FKJVUNAVIADAQC-ZKPRYKGHSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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