(Q105195007)

English

[(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

chemical compound

In more languages

Statements

type of chemical entity

0 references

(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

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,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

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=C\C(=O)[C@](C)(O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12

0 references

Calea ternifolia

1 reference

Two caleines from Calea zacatechichi☆

Identifiers

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/b8-7-,12-6+/t11-,14-,15-,17+,20-/m1/s1

0 references

ONPQMJRPONUMCY-VAXXNAQXSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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