(Q105375987)

English

[(4S)-4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyldodeca-6,10-dien-8-ynyl] acetate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

biogenic acyclic ester

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farnesane sesquiterpenoid

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mass

376.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3Z,4S,6E)-4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyldodeca-6,10-dien-8-ynyl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₆

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canonical SMILES

O=C(OC=C(CCOC(=O)C)C(OC(=O)C)CC=C(C#CC=C(C)C)C)C

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isomeric SMILES

CC(=O)OC=C(CCOC(C)=O)[C@H](CC=C(C)C#CC=C(C)C)OC(C)=O

0 references

1 reference

Identifiers

InChI

InChI=1S/C21H28O6/c1-15(2)8-7-9-16(3)10-11-21(27-19(6)24)20(14-26-18(5)23)12-13-25-17(4)22/h8,10,14,21H,11-13H2,1-6H3/t21-/m0/s1

0 references

InChIKey

ZHSZIZHZXXIWTG-NRFANRHFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZHSZIZHZXXIWTG-NRFANRHFSA-N

(Q105375987)

[(4S)-4-acetyloxy-3-(acetyloxymethylidene)-7,11-dimethyldodeca-6,10-dien-8-ynyl] acetate

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Identifiers

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