(Q105140906)

English

5-[(1R)-1-[(1R,2R)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde

chemical compound

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type of chemical entity

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1 reference

5-[(1S)-1-[(1R,2R)-2-[(1R,3R)-2,2-Dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde

1 reference

1 reference

486.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

5-[(1S)-1-[(1R,2S)-2-[(1S,3S)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₈O₇

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canonical SMILES

O=CC=1C(O)=C(C=O)C(O)=C(C1O)C(CC(C)C)C2(C)CCC(=O)C2C3C(CCC(=O)C)C3(C)C

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isomeric SMILES

CC(=O)CC[C@@H]1[C@H]([C@H]2C(=O)CC[C@]2(C)[C@@H](CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)C1(C)C

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found in taxon

Eucalyptus globulus

2 references

stated in

Eucalyptone from Eucalyptus globulus

stated in

Macrocarpals H, I, and J from the Leaves of Eucalyptus globulus

Identifiers

InChI

InChI=1S/C28H38O7/c1-14(2)11-19(21-25(34)16(12-29)24(33)17(13-30)26(21)35)28(6)10-9-20(32)23(28)22-18(27(22,4)5)8-7-15(3)31/h12-14,18-19,22-23,33-35H,7-11H2,1-6H3/t18-,19+,22-,23-,28-/m1/s1

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InChIKey

KGPNGYABEKLGJP-IGTSPWJPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KGPNGYABEKLGJP-IGTSPWJPSA-N

1 reference

(Q105140906)

5-[(1R)-1-[(1R,2R)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-1-methyl-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde

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