(Q105206456)

English

(3S)-3-methyl-3-[(4S,8S)-4,8,12-trimethyltridecyl]-2H-pyran-6-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-methyl-3-(4,8,12-trimethyltridecyl)-2H-pyran-6-one

1 reference

based on heuristic

inferred from SMILES

mass

336.30283052 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₄₀O₂

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canonical SMILES

O=C1OCC(C=C1)(C)CCCC(C)CCCC(C)CCCC(C)C

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isomeric SMILES

CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@]1(C)C=CC(=O)OC1

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found in taxon

Gynura japonica

1 reference

stated in

Cerebrosides from the Rhizomes ofGynura Japonica

Identifiers

InChI

InChI=1S/C22H40O2/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-15-22(5)16-14-21(23)24-17-22/h14,16,18-20H,6-13,15,17H2,1-5H3/t19-,20-,22-/m0/s1

0 references

InChIKey

PDFUYNQQCGLVBA-ONTIZHBOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PDFUYNQQCGLVBA-ONTIZHBOSA-N

(Q105206456)

(3S)-3-methyl-3-[(4S,8S)-4,8,12-trimethyltridecyl]-2H-pyran-6-one

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