(Q105327906)

English

[(2R)-5-[(1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-yl]-5-oxopentan-2-yl] acetate

chemical compound

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instance of

type of chemical entity

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1 reference

[5-(4,12-Dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-yl)-5-oxopentan-2-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

348.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₂O₄

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canonical SMILES

O=C(OC(C)CCC(=O)C1(C)CC2C(=C)CCC3OC3(C)CCC21)C

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isomeric SMILES

C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)C(=O)CC[C@@H](C)OC(C)=O

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found in taxon

Sinularia nanolobata

1 reference

stated in

New beta-caryophyllene-derived terpenoids from the soft coral Sinularia nanolobata

Identifiers

InChI

InChI=1S/C21H32O4/c1-13-6-9-19-21(5,25-19)11-10-17-16(13)12-20(17,4)18(23)8-7-14(2)24-15(3)22/h14,16-17,19H,1,6-12H2,2-5H3/t14-,16+,17+,19+,20+,21+/m1/s1

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InChIKey

XGYBYMODODSAGE-FNEKEKTMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XGYBYMODODSAGE-FNEKEKTMSA-N

(Q105327906)

[(2R)-5-[(1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-yl]-5-oxopentan-2-yl] acetate

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