(Q105282010)

English

[(1R,4S,8S,10S,11R)-11-methyl-2,7-dimethylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-10-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(11-Methyl-2,7-dimethylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-10-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

306.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,4S,8R,10R,11R)-11-methyl-2,7-dimethylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-10-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₂O₅

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canonical SMILES

O=C1OC2CC(=C)C3OC(C)(CC3)C(OC(=O)C)CC2C1=C

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isomeric SMILES

C=C1C(=O)O[C@H]2CC(=C)[C@H]3CC[C@@](C)(O3)[C@@H](OC(C)=O)C[C@@H]12

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found in taxon

Calea szyszylowiczii

1 reference

stated in

Germacranolide und Eudesmanolide ausCalea szyszylowiczii

Identifiers

InChI

InChI=1S/C17H22O5/c1-9-7-14-12(10(2)16(19)21-14)8-15(20-11(3)18)17(4)6-5-13(9)22-17/h12-15H,1-2,5-8H2,3-4H3/t12-,13+,14-,15-,17+/m0/s1

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InChIKey

UYWWAHLDHDRPKW-CEEVZKBLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UYWWAHLDHDRPKW-CEEVZKBLSA-N

(Q105282010)

[(1R,4S,8S,10S,11R)-11-methyl-2,7-dimethylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-10-yl] acetate

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