(Q105020562)

English

[(3aS,4S,5S,5aR,6R,9aS,9bS)-5-[(2S,3S)-2,3-dimethyloxirane-2-carbonyl]oxy-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-(2,3-dimethyloxirane-2-carbonyloxy)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,6H,7H,9aH,9bH-naphtho[1,2-b]furan-4-yl 2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

476.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4S,5S,5aR,6R,9aS,9bS)-5-[(2S,3S)-2,3-dimethyloxirane-2-carbonyl]oxy-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] (2S,3S)-2,3-dimethyloxirane-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,4S,5R,5aR,6R,9aS,9bS)-5-[(2S,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₂O₉

0 references

canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C3(OC3C)C)C(OC(=O)C4(OC4C)C)C5(C)C(O)CC=C(C)C25

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)[C@]1(C)O[C@@H]1C)[C@@H](OC(=O)[C@@]1(C)O[C@H]1C)[C@]1(C)[C@@H]2C(C)=CC[C@H]1O

0 references

found in taxon

Calostephane divaricata

1 reference

stated in

Cis-eudesman-12,6-olides from Calostephane divaricata

Identifiers

InChI

InChI=1S/C25H32O9/c1-10-8-9-14(26)23(5)16(10)17-15(11(2)20(27)30-17)18(31-21(28)24(6)12(3)33-24)19(23)32-22(29)25(7)13(4)34-25/h8,12-19,26H,2,9H2,1,3-7H3/t12-,13+,14-,15+,16-,17-,18+,19-,23+,24-,25+/m1/s1

0 references

InChIKey

GUUNMCCZCVIQOO-HRFXJPBVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GUUNMCCZCVIQOO-HRFXJPBVSA-N

(Q105020562)

[(3aS,4S,5S,5aR,6R,9aS,9bS)-5-[(2S,3S)-2,3-dimethyloxirane-2-carbonyl]oxy-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate

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