(Q105263580)

English

methyl (3aS,4S,5S,6E,10E,11aR)-5-acetyloxy-4-[(2S)-2,3-dihydroxy-2-methylpropanoyl]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-(2,3-dihydroxy-2-methylpropanoyl)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

452.168247096 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₁₀

0 references

canonical SMILES

O=C(OC)C1=CCCC(=CC2OC(=O)C(=C)C2C(OC(=O)C(O)(C)CO)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)(O)CO)[C@@H]12

0 references

found in taxon

Enydra fluctuans

1 reference

stated in

Melampolides from Enydra anagallis

Identifiers

InChI

InChI=1S/C22H28O10/c1-11-7-6-8-14(20(26)29-5)17(30-13(3)24)18(32-21(27)22(4,28)10-23)16-12(2)19(25)31-15(16)9-11/h8-9,15-18,23,28H,2,6-7,10H2,1,3-5H3/b11-9+,14-8+/t15-,16+,17+,18+,22+/m1/s1

0 references

InChIKey

SYHYRAPXFAFMOF-HOTIBTAPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SYHYRAPXFAFMOF-HOTIBTAPSA-N

(Q105263580)

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

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Identifiers

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