(Q105036572)

English

5-[(1S)-1-[(1aS,4R,4aR,7R,7aR,7bS)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde

chemical compound

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type of chemical entity

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subclass of

2,4,6-Trihydroxy-5-[1-(4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl)-3-methylbutyl]benzene-1,3-dicarbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

472.282489 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

C₂₈H₄₀O₆

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canonical SMILES

O=CC=1C(O)=C(C=O)C(O)=C(C1O)C(CC(C)C)C2(C)CCC3C2C4C(CCC3(O)C)C4(C)C

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isomeric SMILES

CC(C)C[C@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@]1(C)CC[C@@H]2[C@H]1[C@@H]1[C@H](CC[C@@]2(C)O)C1(C)C

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found in taxon

Eucalyptus macrocarpa

1 reference

stated in

Isolation and characterization of macrocarpals B--G antibacterial compounds from Eucalyptus macrocarpa

Identifiers

InChI

InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3/t17-,18+,19+,21-,22-,27-,28+/m0/s1

0 references

InChIKey

IBLPTYJTKWQCDX-UEOYNULUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IBLPTYJTKWQCDX-UEOYNULUSA-N

(Q105036572)

5-[(1S)-1-[(1aS,4R,4aR,7R,7aR,7bS)-4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde

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