(Q105326221)

English

[(3aR,4S,5aR,6S,9S,9aS,9bS)-4-hydroxy-5a-methyl-3-methylidene-2-oxospiro[3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-9,2'-oxirane]-6-yl] (E)-4-acetyloxy-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(4-Hydroxy-5a-methyl-3-methylidene-2-oxospiro[3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-9,2'-oxirane]-6-yl) 4-acetyloxy-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

420.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,5aR,6S,9S,9aS,9bS)-4-hydroxy-5a-methyl-3-methylidene-2-oxospiro[3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-9,2'-oxirane]-6-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4S,5aR,6S,9R,9aS,9bS)-4-hydroxy-5a-methyl-3-methylidene-2-oxospiro[3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-9,2'-oxirane]-6-yl] (Z)-4-acetyloxy-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₈

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canonical SMILES

O=C(OC1CCC2(OC2)C3C4OC(=O)C(=C)C4C(O)CC13C)C(=CCOC(=O)C)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]3[C@@]4(CC[C@H](OC(=O)/C(C)=C/COC(C)=O)[C@]3(C)C[C@H](O)[C@@H]12)CO4

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found in taxon

Dimerostemma brasilianum

1 reference

stated in

Eudesmanolides from Dimerostemma brasilianum

Identifiers

InChI

InChI=1S/C22H28O8/c1-11(6-8-27-13(3)23)19(25)29-15-5-7-22(10-28-22)18-17-16(12(2)20(26)30-17)14(24)9-21(15,18)4/h6,14-18,24H,2,5,7-10H2,1,3-4H3/b11-6+/t14-,15-,16+,17-,18+,21-,22+/m0/s1

0 references

InChIKey

XEBIHJVLTHUZQM-DAZASVDCSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105326221)

[(3aR,4S,5aR,6S,9S,9aS,9bS)-4-hydroxy-5a-methyl-3-methylidene-2-oxospiro[3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-9,2'-oxirane]-6-yl] (E)-4-acetyloxy-2-methylbut-2-enoate

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