(Q105027363)

English

(Z)-3-(Methylthio)acrylic acid (2,4,4a,5,6,7,8,8abeta,9,9abeta-decahydro-2-oxo-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan)-7beta-yl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3,4a,5-trimethyl-2-oxo-4H,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-7-yl 3-(methylsulfanyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

350.155180312 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₆O₄S

0 references

canonical SMILES

O=C(OC1CC(C)C2(C)CC3=C(C(=O)OC3CC2C1)C)C=CSC

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isomeric SMILES

CS/C=C\C(=O)O[C@@H]1C[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@H]2C1

0 references

found in taxon

Petasites hybridus

3 references

stated in

Differential and stereoselective in vitro cytotoxicity of eremophilane sesquiterpenes of Petasites hybridus rhizomes in rat hepatocytes.

stated in

New Eremophilane Sesquiterpenes from a Rhizome Extract ofPetasites hybridus

stated in

Absolute configuration of eremophilane sesquiterpenes from Petasites hybridus: comparison of experimental and calculated circular dichroism spectra.

Identifiers

InChI

InChI=1S/C19H26O4S/c1-11-7-14(22-17(20)5-6-24-4)8-13-9-16-15(10-19(11,13)3)12(2)18(21)23-16/h5-6,11,13-14,16H,7-10H2,1-4H3/b6-5-/t11-,13+,14+,16-,19+/m0/s1

0 references

InChIKey

HFJJFBMNBYVNKQ-CZUSZWISSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HFJJFBMNBYVNKQ-CZUSZWISSA-N

1 reference

(Q105027363)

(Z)-3-(Methylthio)acrylic acid (2,4,4a,5,6,7,8,8abeta,9,9abeta-decahydro-2-oxo-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan)-7beta-yl ester

Statements

Identifiers

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