(Q105215776)

English

[(1S,3S,5S,8R,11R,12S)-3-hydroxy-8,12-dimethyl-4,15-dimethylidene-14-oxo-13,18-dioxatricyclo[10.3.2.15,8]octadecan-11-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(3-Hydroxy-8,12-dimethyl-4,15-dimethylidene-14-oxo-13,18-dioxatricyclo[10.3.2.15,8]octadecan-11-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

392.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₆

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canonical SMILES

O=C1OC2(C)CCC(C1=C)CC(O)C(=C)C3OC(C)(CC3)CCC2OC(=O)C

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isomeric SMILES

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

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found in taxon

Sinularia flexibilis

1 reference

stated in

New Cembrane Diterpenes from Taiwanese Soft Coral Sinularia flexibilis

Identifiers

InChI

InChI=1S/C22H32O6/c1-13-16-6-11-22(5,28-20(13)25)19(26-15(3)23)8-10-21(4)9-7-18(27-21)14(2)17(24)12-16/h16-19,24H,1-2,6-12H2,3-5H3/t16-,17-,18-,19+,21+,22-/m0/s1

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InChIKey

PWDPVXSFDHMCGJ-FNSJINJNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PWDPVXSFDHMCGJ-FNSJINJNSA-N

1 reference

(Q105215776)

[(1S,3S,5S,8R,11R,12S)-3-hydroxy-8,12-dimethyl-4,15-dimethylidene-14-oxo-13,18-dioxatricyclo[10.3.2.15,8]octadecan-11-yl] acetate

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