(Q104981717)

English

[(3aS,4S,5S,5aR,6S,7S,9aS,9bS)-6,7-dihydroxy-5a,9-dimethyl-5-[(Z)-2-methylbut-2-enoyl]oxy-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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instance of

type of chemical entity

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subclass of

[6,7-dihydroxy-5a,9-dimethyl-5-(2-methylbut-2-enoyloxy)-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-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,6S,7S,9aS,9bS)-6,7-dihydroxy-5a,9-dimethyl-5-[(Z)-2-methylbut-2-enoyl]oxy-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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₂O₉

0 references

canonical SMILES

O=C(OC1C(OC(=O)C2(OC2C)C)C3C(=C)C(=O)OC3C4C(=CC(O)C(O)C14C)C)C(=CC)C

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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(C)=C\C)[C@@]1(C)[C@H](O)[C@@H](O)C=C(C)[C@H]21

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found in taxon

Calostephane divaricata

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C25H32O9/c1-8-10(2)21(28)33-20-18(32-23(30)25(7)13(5)34-25)15-12(4)22(29)31-17(15)16-11(3)9-14(26)19(27)24(16,20)6/h8-9,13-20,26-27H,4H2,1-3,5-7H3/b10-8-/t13-,14+,15+,16-,17-,18+,19-,20-,24-,25-/m1/s1

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InChIKey

DIWCMNCNQDBDTL-FHVZZOBHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DIWCMNCNQDBDTL-FHVZZOBHSA-N

(Q104981717)

[(3aS,4S,5S,5aR,6S,7S,9aS,9bS)-6,7-dihydroxy-5a,9-dimethyl-5-[(Z)-2-methylbut-2-enoyl]oxy-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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