(Q105324305)

English

methyl (3aS,4S,5S,6E,10E,11aR)-5-acetyloxy-10-methyl-3-methylidene-4-(2-methylprop-2-enoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 5-acetyloxy-10-methyl-3-methylidene-4-(2-methylprop-2-enoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

418.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆O₈

0 references

canonical SMILES

O=C(OC)C1=CCCC(=CC2OC(=O)C(=C)C2C(OC(=O)C(=C)C)C1OC(=O)C)C

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isomeric SMILES

C=C(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)/C(C(=O)OC)=C\CC/C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12

0 references

found in taxon

Enydra fluctuans

1 reference

stated in

Melampolides from Enydra anagallis

Identifiers

InChI

InChI=1S/C22H26O8/c1-11(2)20(24)30-19-17-13(4)21(25)29-16(17)10-12(3)8-7-9-15(22(26)27-6)18(19)28-14(5)23/h9-10,16-19H,1,4,7-8H2,2-3,5-6H3/b12-10+,15-9+/t16-,17+,18+,19+/m1/s1

0 references

InChIKey

XBBLLENRTSUTSP-PEGIKPHUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBBLLENRTSUTSP-PEGIKPHUSA-N

(Q105324305)

methyl (3aS,4S,5S,6E,10E,11aR)-5-acetyloxy-10-methyl-3-methylidene-4-(2-methylprop-2-enoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate

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Identifiers

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