(Q105139149)

English

(4aR,5'S,7R,8R,8aR)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-4,7-dimethylspiro[1,4a,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-2,2'-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(4aR,5'R,7R,8R,8aS)-5'-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,7-dimethylspiro[1,4a,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-2,2'-dione

1 reference

based on heuristic

inferred from SMILES

mass

346.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R)-3,4,4',4aalpha,5',8abeta-Hexahydro-5'alpha-[(5R)-2,5-dihydro-5-hydroxy-2-oxofuran-3-yl]-2alpha,5-dimethylspiro[naphthalene-1(2H),3'(2'H)-furan]-2',7(8H)-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₂O₆

0 references

canonical SMILES

O=C1OC(O)C=C1C2OC(=O)C3(C2)C(C)CCC4C(=CC(=O)CC43)C

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isomeric SMILES

CC1=CC(=O)C[C@@H]2[C@H]1CC[C@@H](C)[C@]21C[C@@H](C2=C[C@H](O)OC2=O)OC1=O

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found in taxon

Croton cajucara

1 reference

stated in

Terpenoids from Croton cajucara

Identifiers

InChI

InChI=1S/C19H22O6/c1-9-5-11(20)6-14-12(9)4-3-10(2)19(14)8-15(24-18(19)23)13-7-16(21)25-17(13)22/h5,7,10,12,14-16,21H,3-4,6,8H2,1-2H3/t10-,12+,14-,15+,16-,19-/m1/s1

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InChIKey

KDHLKFOOPWLPCD-SZCIQHNTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KDHLKFOOPWLPCD-SZCIQHNTSA-N

(Q105139149)

(4aR,5'S,7R,8R,8aR)-5'-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-4,7-dimethylspiro[1,4a,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-2,2'-dione

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