(Q105215645)

English

[(3aS,4aS,7R,8R,8aS,9aR)-7-hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-8-yl] (2R)-2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(7-hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-8-yl) 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4aS,7S,8S,8aR,9aR)-7-hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-8-yl] (2R)-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₅

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canonical SMILES

O=C1OC2CC3(C)C(OC(=O)C(C)CC)C(O)C=C(C)C3CC2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@@H]12)C(C)=C[C@@H](O)[C@@H]3OC(=O)[C@H](C)CC

0 references

found in taxon

Wunderlichia mirabilis

1 reference

stated in

Neue Spirosesquiterpenlactone, Germacranolide und Eudesmanolide ausWunderlichia mirabilis

Identifiers

InChI

InChI=1S/C20H28O5/c1-6-10(2)18(22)25-17-15(21)7-11(3)14-8-13-12(4)19(23)24-16(13)9-20(14,17)5/h7,10,13-17,21H,4,6,8-9H2,1-3,5H3/t10-,13+,14+,15-,16-,17+,20+/m1/s1

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InChIKey

PVWIUPXWXVHYTM-NVNCWXIISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PVWIUPXWXVHYTM-NVNCWXIISA-N

(Q105215645)

[(3aS,4aS,7R,8R,8aS,9aR)-7-hydroxy-5,8a-dimethyl-3-methylidene-2-oxo-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-8-yl] (2R)-2-methylbutanoate

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