(Q105003095)

English

Acetic acid [(5Z,7S,9E,11aR)-2,3,3aalpha,4,7,8,11,11aalpha-octahydro-3alpha,6,10-trimethyl-2-oxocyclodeca[b]furan]-7-yl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3,6,10-trimethyl-2-oxo-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-7-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

292.167459248 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₄O₄

0 references

canonical SMILES

O=C(OC1C(=CCC2C(OC(=O)C2C)CC(=CC1)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1C/C=C(\C)C[C@H]2OC(=O)[C@H](C)[C@H]2C/C=C\1C

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found in taxon

Stevia yaconensis

1 reference

stated in

Heliangolides from Stevia yaconensis var. Aristifera

Identifiers

InChI

InChI=1S/C17H24O4/c1-10-5-8-15(20-13(4)18)11(2)6-7-14-12(3)17(19)21-16(14)9-10/h5-6,12,14-16H,7-9H2,1-4H3/b10-5+,11-6-/t12-,14-,15+,16-/m1/s1

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InChIKey

FWCGEBHNUDACCZ-XOVSNVFFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FWCGEBHNUDACCZ-XOVSNVFFSA-N

1 reference

(Q105003095)

Acetic acid [(5Z,7S,9E,11aR)-2,3,3aalpha,4,7,8,11,11aalpha-octahydro-3alpha,6,10-trimethyl-2-oxocyclodeca[b]furan]-7-yl ester

Statements

Identifiers

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