(Q104967523)

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] 3-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

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

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

2 references

based on heuristic

inferred from InChIKey

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=C(C)C

0 references

isomeric SMILES

CC(C)=CC(=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/c1-11(2)9-14(21)25-18-15-12(3)10-24-17(15)16(22)13-7-6-8-19(4,23)20(13,18)5/h9-10,13,18,23H,6-8H2,1-5H3/t13-,18+,19+,20+/m0/s1

0 references

InChIKey

CPGDJQWAOHOBFE-BBLUDWJGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CPGDJQWAOHOBFE-BBLUDWJGSA-N

(Q104967523)

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

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