(Q105373462)

English

[(3aS,4R,6R,7E,9R,10Z,11aR)-9-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

9-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

404.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4R,6R,7E,9S,10Z,11aS)-9-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

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

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isomeric SMILES

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

0 references

found in taxon

Helianthus pumilus

1 reference

stated in

Minor sesquiterpene lactones of Helianthus pumilus

Identifiers

InChI

InChI=1S/C22H28O7/c1-7-12(2)20(24)29-18-11-22(6,26)9-8-16(27-15(5)23)13(3)10-17-19(18)14(4)21(25)28-17/h7-10,16-19,26H,4,11H2,1-3,5-6H3/b9-8+,12-7-,13-10-/t16-,17-,18-,19-,22+/m1/s1

0 references

InChIKey

ZEOMKAKQYBAFHV-CQSBXKAHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105373462)

[(3aS,4R,6R,7E,9R,10Z,11aR)-9-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,9,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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