(Q105191972)

English

[(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

chemical compound

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(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

1 reference

(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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₆O₃S

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canonical SMILES

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

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isomeric SMILES

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

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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/t13-,15+,17+,19+/m0/s1

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InChIKey

OHANKWLYFDFHOJ-GCVCFTOTSA-N

0 references

2 references

4 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

OHANKWLYFDFHOJ-GCVCFTOTSA-N

(Q105191972)

[(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

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