(Q105036573)

English

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

group of stereoisomers with the chemical formula C₂₈H₄₀O₆

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Statements

group of stereoisomers

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chemical compound

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472.282489 dalton

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based on heuristic

inferred from SMILES

chemical formula

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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Eucalyptus maidenii

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Phenolic compounds from the branches of Eucalyptus maideni

Identifiers

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

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IBLPTYJTKWQCDX-UHFFFAOYSA-N

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CAS Registry Number

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CAS (formerly Chemical Abstracts Service)

25 January 2022

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10 May 2023

based on heuristic

inferred from InChIKey

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

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

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

IBLPTYJTKWQCDX-UHFFFAOYSA-N

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