(Q105270771)

English

[(Z)-4-[(2R)-3,3-dimethyloxiran-2-yl]-2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]but-2-enyl] acetate

chemical compound

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type of chemical entity

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subclass of

[4-(3,3-Dimethyloxiran-2-yl)-2-(4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl)but-2-enyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

346.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₃

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canonical SMILES

O=C(OCC(=CCC1OC1(C)C)C2CCC(C=C)(C)C(C(=C)C)C2)C

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isomeric SMILES

C=C[C@@]1(C)CC[C@H](/C(=C/C[C@H]2OC2(C)C)COC(C)=O)C[C@@H]1C(=C)C

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found in taxon

Sinularia flexibilis

1 reference

stated in

Structures and Absolute Configurations of New Lobane Diterpenoids from the Okinawa Soft Coral Sinularia flexibilis.

Identifiers

InChI

InChI=1S/C22H34O3/c1-8-22(7)12-11-17(13-19(22)15(2)3)18(14-24-16(4)23)9-10-20-21(5,6)25-20/h8-9,17,19-20H,1-2,10-14H2,3-7H3/b18-9+/t17-,19+,20+,22-/m0/s1

0 references

InChIKey

UEBSHSVNCCQDBC-SXDJSCLZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UEBSHSVNCCQDBC-SXDJSCLZSA-N

(Q105270771)

[(Z)-4-[(2R)-3,3-dimethyloxiran-2-yl]-2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]but-2-enyl] acetate

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