(Q105161663)

English

[(3aR,4R,6E,9R,10E,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2S,3S)-3-acetyloxy-2-hydroxy-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[(6Z,10Z)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3-acetyloxy-2-hydroxy-2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

(9-Acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 3-acetyloxy-2-hydroxy-2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

464.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4S,6Z,9R,10E,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2S,3R)-3-acetyloxy-2-hydroxy-2-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₂O₉

0 references

canonical SMILES

O=C1OC2C=C(C)C(OC(=O)C)CC=C(C)CC(OC(=O)C(O)(C)C(OC(=O)C)C)C2C1=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)C[C@@H](OC(=O)[C@@](C)(O)[C@H](C)OC(C)=O)[C@@H]12

0 references

found in taxon

Ursinia anthemoides

1 reference

stated in

Sesquiterpene lactones and other constituents from Ursinia species

Ursinia speciosa

1 reference

stated in

Sesquiterpene lactones and other constituents from Ursinia species

Identifiers

InChI

InChI=1S/C24H32O9/c1-12-8-9-18(31-17(6)26)13(2)11-20-21(14(3)22(27)32-20)19(10-12)33-23(28)24(7,29)15(4)30-16(5)25/h8,11,15,18-21,29H,3,9-10H2,1-2,4-7H3/b12-8+,13-11+/t15-,18+,19+,20-,21+,24-/m0/s1

0 references

InChIKey

MDEMWAXREYWVBU-FABQFCCLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MDEMWAXREYWVBU-FABQFCCLSA-N

(Q105161663)

[(3aR,4R,6E,9R,10E,11aS)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2S,3S)-3-acetyloxy-2-hydroxy-2-methylbutanoate

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