(Q105331416)

English

[(1R,3R,5S,14R,15R)-5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-14-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

390.20423868 dalton

1 reference

1 reference

C₂₂H₃₀O₆

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canonical SMILES

O=C1OC2C(OC(=O)C)C(=CCCC(=CCCC3(OC3CC2C1=C)CO)C)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1O[C@]1(CO)CCC=C(C)CCC=C(C)[C@H]2OC(C)=O

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found in taxon

Lobophytum crassum

1 reference

stated in

Bioactive Cembranoids from the Dongsha Atoll Soft CoralLobophytum crassum

Identifiers

InChI

InChI=1S/C22H30O6/c1-13-7-5-9-14(2)19(26-16(4)24)20-17(15(3)21(25)27-20)11-18-22(12-23,28-18)10-6-8-13/h8-9,17-20,23H,3,5-7,10-12H2,1-2,4H3/t17-,18-,19-,20-,22+/m1/s1

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InChIKey

XMTJEDUWRNHIIT-DOSYZEEDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XMTJEDUWRNHIIT-DOSYZEEDSA-N

(Q105331416)

[(1R,3R,5S,14R,15R)-5-(hydroxymethyl)-9,13-dimethyl-18-methylidene-17-oxo-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-14-yl] acetate

Statements

Identifiers

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