(Q105001982)

English

[(2R)-2-[(1R,4aS,7S,7aR)-4,7-dimethyl-3-(3-methylbutanoyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]-4-methyl-3-oxo-1-benzofuran-2-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4,7-dimethyl-3-(3-methylbutanoyl)-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl]-4-methyl-3-oxo-1-benzofuran-2-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

440.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S)-2-[(1R,4aS,7S,7aR)-4,7-dimethyl-3-(3-methylbutanoyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]-4-methyl-3-oxo-1-benzofuran-2-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₂O₆

0 references

canonical SMILES

O=C(OC1(OC2=CC=CC(=C2C1=O)C)C3OC(C(=O)CC(C)C)=C(C)C4CCC(C)C34)C

0 references

isomeric SMILES

CC(=O)O[C@@]1([C@@H]2OC(C(=O)CC(C)C)=C(C)[C@H]3CC[C@H](C)[C@H]32)Oc2cccc(C)c2C1=O

0 references

found in taxon

Aphyllocladus denticulatus

1 reference

stated in

5-Methylcoumarin derivatives from Aphyllocladus denticulatus

Identifiers

InChI

InChI=1S/C26H32O6/c1-13(2)12-19(28)23-16(5)18-11-10-15(4)21(18)25(30-23)26(31-17(6)27)24(29)22-14(3)8-7-9-20(22)32-26/h7-9,13,15,18,21,25H,10-12H2,1-6H3/t15-,18+,21+,25+,26+/m0/s1

0 references

InChIKey

FUSPELHEBSYWMX-WKEMHGQMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FUSPELHEBSYWMX-WKEMHGQMSA-N

(Q105001982)

[(2R)-2-[(1R,4aS,7S,7aR)-4,7-dimethyl-3-(3-methylbutanoyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]-4-methyl-3-oxo-1-benzofuran-2-yl] acetate

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