(Q105000118)

English

(3aS,4R,5E,9E,11aS)-3a,4,7,8,11,11a-Hexahydro-4-hydroxy-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-Hydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

248.1412445 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aS,4S,5E,9E)-4-Hydroxy-3aalpha,4,7,8,11,11abeta-hexahydro-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₀O₃

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canonical SMILES

O=C1OC2CC(=CCCC(=CC(O)C2C1=C)C)C

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isomeric SMILES

C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](O)[C@H]12

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found in taxon

Brocchia cinerea

1 reference

stated in

Further glaucolides and other sesquiterpene lactones from Brocchia cinerea

Cota palaestina

1 reference

stated in

Sesquiterpene Lactones fromAnthemis melanolepis

Cassinia subtropica

1 reference

stated in

Sesquiterpene lactones and other constituents from Cassinia, actinobole and an axeton species

Leucanthemopsis pulverulenta

1 reference

stated in

Pyrogallol derivatives from Leucanthemopsis pallida subsp.flaveola

Mikania goyazensis

1 reference

stated in

A dimeric germacranolide and other sesquiterpene lactones from Mikania species

Mikania pohlii

1 reference

stated in

A dimeric germacranolide and other sesquiterpene lactones from Mikania species

Santolina rosmarinifolia

1 reference

stated in

Germacranolides from Santolina rosmarinifolia subsp. Canescens

Santolina canescens

1 reference

stated in

Germacranolides from Santolina rosmarinifolia subsp. Canescens

Schistostephium crataegifolium

1 reference

stated in

Sesquiterpene lactones and other constituents from Schistostephium species

Schistostephium heptalobum

1 reference

stated in

Sesquiterpene lactones and other constituents from Schistostephium species

Tanacetum densum

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stated in

Sesquiterpene lactones with antibacterial activity fromTanacetum densum subsp.sivasicum

Pico

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stated in

Sesquiterpenes of lauraceae plants. IV. Germacranolides from Laurus nobilis L.

stated in

Antimicrobial sesquiterpenoids from Laurus nobilis L.

Identifiers

InChI

InChI=1S/C15H20O3/c1-9-5-4-6-10(2)8-13-14(12(16)7-9)11(3)15(17)18-13/h6-7,12-14,16H,3-5,8H2,1-2H3/b9-7+,10-6+/t12-,13+,14+/m1/s1

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InChIKey

FRDLPOYYWWRSPZ-MXSOBKCTSA-N

0 references

CAS Registry Number

35001-24-2

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FRDLPOYYWWRSPZ-MXSOBKCTSA-N

DSSTox substance ID

DTXSID901109317

1 reference

matched by identifier from

InChIKey

FRDLPOYYWWRSPZ-MXSOBKCTSA-N

(Q105000118)

(3aS,4R,5E,9E,11aS)-3a,4,7,8,11,11a-Hexahydro-4-hydroxy-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one

Statements

Identifiers

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