(Q105195005)

English

[(3aS,4R,6R,10R,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(6-Hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4R,6S,8Z,10R,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,4R,6R,8Z,10R,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,4R,6R,8Z,10S,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₆

0 references

canonical SMILES

O=C(OC1CC(O)(C(=O)C=CC(C)CC2OC(=O)C(=C)C21)C)C(=CC)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@@H](C)C=CC(=O)[C@](C)(O)C[C@@H](OC(=O)C(C)=CC)[C@@H]12

0 references

found in taxon

Calea ternifolia

1 reference

stated in

Antileishmanial Germacranolides fromCalea zacatechichi

Identifiers

InChI

InChI=1S/C20H26O6/c1-6-12(3)18(22)26-15-10-20(5,24)16(21)8-7-11(2)9-14-17(15)13(4)19(23)25-14/h6-8,11,14-15,17,24H,4,9-10H2,1-3,5H3/t11-,14+,15+,17-,20+/m0/s1

0 references

InChIKey

ONPQMJRPONUMCY-DHZJBZCISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ONPQMJRPONUMCY-DHZJBZCISA-N

(Q105195005)

[(3aS,4R,6R,10R,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbut-2-enoate

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Identifiers

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