(Q105370541)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

(6-Acetyloxy-3,4a,5-trimethyl-9-oxo-4,5,6,7,8,8a-hexahydrobenzo[f][1]benzofuran-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

388.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₆

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canonical SMILES

O=C(OC1C2=C(OC=C2C)C(=O)C3CCC(OC(=O)C)C(C)C13C)C(=CC)C

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isomeric SMILES

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

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found in taxon

Telanthophora grandifolia

1 reference

stated in

Further pyrrolizidine alkaloids and furoeremophilanes from Senecio species

Identifiers

InChI

InChI=1S/C22H28O6/c1-7-11(2)21(25)28-20-17-12(3)10-26-19(17)18(24)15-8-9-16(27-14(5)23)13(4)22(15,20)6/h7,10,13,15-16,20H,8-9H2,1-6H3/b11-7-/t13-,15-,16+,20+,22+/m0/s1

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InChIKey

ZBEIDAHTEHJVBJ-HMAFTSSZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZBEIDAHTEHJVBJ-HMAFTSSZSA-N

(Q105370541)

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

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Identifiers

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