(Q105191973)

English

(E)-3-(Methylthio)propenoic acid [(3R)-3beta-isopropenyl-4abeta,5beta-dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-oxonaphthalen]-6alpha-yl ester

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

(1,8a-Dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl) 3-methylsulfanylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

334.160265692 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2R,7R,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] 3-methylsulfanylprop-2-enoate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₁₉H₂₆O₃S

0 references

canonical SMILES

O=C(OC1CCC2=CC(=O)C(C(=C)C)CC2(C)C1C)C=CSC

0 references

isomeric SMILES

C=C(C)[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)/C=C/SC)[C@@H]2C

0 references

found in taxon

Petasites hybridus

1 reference

stated in

[Some active substances from Petasites officinalis Moench. I. Petasin and petasolesters B and C]

Identifiers

InChI

InChI=1S/C19H26O3S/c1-12(2)15-11-19(4)13(3)17(22-18(21)8-9-23-5)7-6-14(19)10-16(15)20/h8-10,13,15,17H,1,6-7,11H2,2-5H3/b9-8+/t13-,15+,17+,19+/m0/s1

0 references

InChIKey

OHANKWLYFDFHOJ-GPONIZCZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OHANKWLYFDFHOJ-GPONIZCZSA-N

1 reference

(Q105191973)

(E)-3-(Methylthio)propenoic acid [(3R)-3beta-isopropenyl-4abeta,5beta-dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-oxonaphthalen]-6alpha-yl ester

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)