(Q105181403)

English

[(4S,6E,8E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,8,11-tetraen-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(10-Hydroxy-2,6,10-trimethyldodeca-2,6,8,11-tetraen-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(4R,6E,8E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,8,11-tetraen-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₃

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canonical SMILES

O=C(OC(C=C(C)C)CC(=CC=CC(O)(C=C)C)C)C(=CC)C

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isomeric SMILES

C=C[C@](C)(O)/C=C/C=C(\C)C[C@@H](C=C(C)C)OC(=O)/C(C)=C\C

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found in taxon

Ageratum fastigiatum

1 reference

stated in

Labdane and eudesmane derivatives from Ageratum fastigiatum

Bejaranoa semistriata

1 reference

stated in

Heliangolides and other constituents from Bejaranoa semistriata

Brickellia diffusa

1 reference

stated in

Labdane and dehydronerolidol derivatives from Brickellia diffusa

Radlkoferotoma cistifolium

1 reference

stated in

Polyacetylenverbindungen, 193 Notiz über die Inhaltsstoffe von Carelia cistifolia Less

Stylotrichium rotundifolium

1 reference

stated in

Six guaianolides from Stylotrichium rotundifolium

Identifiers

InChI

InChI=1S/C20H30O3/c1-8-17(6)19(21)23-18(13-15(3)4)14-16(5)11-10-12-20(7,22)9-2/h8-13,18,22H,2,14H2,1,3-7H3/b12-10+,16-11+,17-8-/t18-,20+/m1/s1

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InChIKey

NLLHOWGAXBVCQA-PNDNNUDLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NLLHOWGAXBVCQA-PNDNNUDLSA-N

(Q105181403)

[(4S,6E,8E,10S)-10-hydroxy-2,6,10-trimethyldodeca-2,6,8,11-tetraen-4-yl] (Z)-2-methylbut-2-enoate

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