(Q105204954)

English

[(1S,2E,6S,8S,11E,13S)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-13-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cembrane

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mass

360.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,6S,8S,13S)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-13-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₂O₄

0 references

canonical SMILES

O=C(OC1C(=CCCC2(OC2CCC(=CC3OCC(=C3C1)C)C)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC2=C(C)CO[C@H]2/C=C(\C)CC[C@@H]2O[C@@]2(C)CC/C=C/1C

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found in taxon

Lobophytum crassum

1 reference

stated in

Cembranoids from the Dongsha Atoll soft coral Lobophytum crassum

Identifiers

InChI

InChI=1S/C22H32O4/c1-14-8-9-21-22(5,26-21)10-6-7-15(2)19(25-17(4)23)12-18-16(3)13-24-20(18)11-14/h7,11,19-21H,6,8-10,12-13H2,1-5H3/b14-11+,15-7+/t19-,20-,21-,22-/m0/s1

0 references

InChIKey

PAYHCLHMUGUMRE-VPAJQBHHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PAYHCLHMUGUMRE-VPAJQBHHSA-N

(Q105204954)

[(1S,2E,6S,8S,11E,13S)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-13-yl] acetate

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Identifiers

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