(Q104921945)

English

[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (9Z,12Z)-octadeca-9,12-dienoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

biogenic acyclic ester

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phytane diterpenoid

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mass

558.53758148 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₇₀O₂

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canonical SMILES

O=C(OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)CCCCCCCC=CCC=CCCCCC

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isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

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found in taxon

Aristolochia fontanesii

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stated in

Lipid components of aristolochia longa

Fatsia japonica

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stated in

The first naturally occurring phytyl esters and hexane soluble non-volatiles from leaves of Fatsia japonica

Aristolochia paucinervis

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stated in

Lipid components of aristolochia longa

Aristolochia clematitis

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stated in

Lipid components of aristolochia longa

Aristolochia debilis

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stated in

Lipid components of aristolochia longa

Identifiers

InChI

InChI=1S/C38H70O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-38(39)40-33-32-37(6)30-24-29-36(5)28-23-27-35(4)26-22-25-34(2)3/h11-12,14-15,32,34-36H,7-10,13,16-31,33H2,1-6H3/b12-11-,15-14-,37-32+/t35-,36-/m1/s1

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InChIKey

AZVBWBSWMFXNTB-PZTAYFGOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AZVBWBSWMFXNTB-PZTAYFGOSA-N

1 reference

(Q104921945)

[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (9Z,12Z)-octadeca-9,12-dienoate

Statements

Identifiers

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