(Q105141060)

English

[(4S,4aR,5R,8aR)-5-hydroxy-3,4a,5-trimethyl-9-oxo-6,7,8,8a-tetrahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(5-hydroxy-3,4a,5-trimethyl-9-oxo-6,7,8,8a-tetrahydro-4H-benzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

6beta-Angeloyloxy-4alpha-hydroxy-9-oxofuranoeremophilane

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(E)-2-Methyl-2-butenoic acid (4S)-4,4a,5,6,7,8,8abeta,9-octahydro-5alpha-hydroxy-3,4abeta,5-trimethyl-9-oxonaphtho[2,3-b]furan-4beta-yl ester

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₅

0 references

canonical SMILES

O=C(OC1C2=C(OC=C2C)C(=O)C3CCCC(O)(C)C13C)C(=CC)C

0 references

isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@@](C)(O)[C@@]12C

0 references

found in taxon

Zemisia discolor

1 reference

stated in

Further pyrrolizidine alkaloids and furoeremophilanes from Senecio species

Identifiers

InChI

InChI=1S/C20H26O5/c1-6-11(2)18(22)25-17-14-12(3)10-24-16(14)15(21)13-8-7-9-19(4,23)20(13,17)5/h6,10,13,17,23H,7-9H2,1-5H3/b11-6-/t13-,17+,19+,20+/m0/s1

0 references

InChIKey

KGZOYCGNWWQQRH-JCZFAVSSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KGZOYCGNWWQQRH-JCZFAVSSSA-N

(Q105141060)

[(4S,4aR,5R,8aR)-5-hydroxy-3,4a,5-trimethyl-9-oxo-6,7,8,8a-tetrahydro-4H-benzo[f][1]benzofuran-4-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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