(Q105314752)

English

methyl (3aS,4S,5S,6E,10E,11aR)-5-acetyloxy-4-[(E)-4-hydroxy-2-methylbut-2-enoyl]oxy-10-methyl-3-methylidene-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

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

448.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈O₉

0 references

canonical SMILES

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

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isomeric SMILES

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

0 references

found in taxon

Enydra fluctuans

1 reference

stated in

Melampolides from Enydra anagallis

Identifiers

InChI

InChI=1S/C23H28O9/c1-12-7-6-8-16(23(28)29-5)19(30-15(4)25)20(32-21(26)13(2)9-10-24)18-14(3)22(27)31-17(18)11-12/h8-9,11,17-20,24H,3,6-7,10H2,1-2,4-5H3/b12-11+,13-9+,16-8+/t17-,18+,19+,20+/m1/s1

0 references

InChIKey

WXMIYQKHLZHWAN-YFCCLZTESA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

WXMIYQKHLZHWAN-YFCCLZTESA-N

1 reference

NMRShiftDB structure ID

6557

1 reference

matched by identifier from

InChIKey

WXMIYQKHLZHWAN-YFCCLZTESA-N

(Q105314752)

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

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