(Q105307743)

English

methyl (3aS,4S,5S,10Z,11aS)-5-acetyloxy-4-[(2S,3R)-2,3-dihydroxy-2-methylbutanoyl]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-methylbutanoyl)oxy]-10-methyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-6-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

466.18389716 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (3aS,4S,5S,6Z,10Z,11aS)-5-acetyloxy-4-[(2S,3R)-2,3-dihydroxy-2-methylbutanoyl]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 InChI

chemical formula

C₂₃H₃₀O₁₀

0 references

canonical SMILES

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

0 references

isomeric SMILES

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

0 references

found in taxon

Tetragonotheca ludoviciana

1 reference

stated in

Tetraludin A, B and C, three new melampolides from Tetragonotheca ludoviciana

Identifiers

InChI

InChI=1S/C23H30O10/c1-11-8-7-9-15(21(27)30-6)18(31-14(4)25)19(33-22(28)23(5,29)13(3)24)17-12(2)20(26)32-16(17)10-11/h9-10,13,16-19,24,29H,2,7-8H2,1,3-6H3/b11-10-,15-9?/t13-,16+,17+,18+,19+,23+/m1/s1

0 references

InChIKey

WKVRXCYBZOWRLM-OXSVANTFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WKVRXCYBZOWRLM-OXSVANTFSA-N

(Q105307743)

methyl (3aS,4S,5S,10Z,11aS)-5-acetyloxy-4-[(2S,3R)-2,3-dihydroxy-2-methylbutanoyl]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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