(Q105029513)

English

[(3aS,4S,6S,7S,8S,8aR)-7-[(E)-but-2-enoyl]-4,7-dihydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,6,8,8a-hexahydrocyclohepta[b]furan-8-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(7-But-2-enoyl-4,7-dihydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,6,8,8a-hexahydrocyclohepta[b]furan-8-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4S,6S,7S,8S,8aR)-7-[(E)-but-2-enoyl]-4,7-dihydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,6,8,8a-hexahydrocyclohepta[b]furan-8-yl] 2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aR,8abeta)-8beta-(Angeloyloxy)-7-(2-butenoyl)octahydro-4beta,7alpha-dihydroxy-3-methylene-6alpha-methyl-2H-cyclohepta[b]furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₇

0 references

canonical SMILES

O=C(OC1C2OC(=O)C(=C)C2C(O)CC(C)C1(O)C(=O)C=CC)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)C[C@H](C)[C@@](O)(C(=O)/C=C/C)[C@H]2OC(=O)/C(C)=C\C

0 references

found in taxon

Ratibida columnifera

1 reference

stated in

Cytotoxic sesquiterpenoids from Ratibida columnifera

Identifiers

InChI

InChI=1S/C20H26O7/c1-6-8-14(22)20(25)11(4)9-13(21)15-12(5)19(24)26-16(15)17(20)27-18(23)10(3)7-2/h6-8,11,13,15-17,21,25H,5,9H2,1-4H3/b8-6+,10-7-/t11-,13-,15-,16+,17-,20+/m0/s1

0 references

InChIKey

HJXOXGRXNRMHTP-YJEDSYGSSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105029513)

[(3aS,4S,6S,7S,8S,8aR)-7-[(E)-but-2-enoyl]-4,7-dihydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,6,8,8a-hexahydrocyclohepta[b]furan-8-yl] (Z)-2-methylbut-2-enoate

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