(Q105291639)

English

2-[(1S,2S)-2-formyl-1,3,3-trimethylcyclohexyl]-3,4-dihydroxy-5-propan-2-ylbenzaldehyde

chemical compound

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instance of

type of chemical entity

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subclass of

2-(2-Formyl-1,3,3-trimethylcyclohexyl)-3,4-dihydroxy-5-propan-2-ylbenzaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

332.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₄

0 references

canonical SMILES

O=CC=1C=C(C(O)=C(O)C1C2(C)CCCC(C)(C)C2C=O)C(C)C

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isomeric SMILES

CC(C)c1cc(C=O)c([C@@]2(C)CCCC(C)(C)[C@@H]2C=O)c(O)c1O

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found in taxon

Salvia miltiorrhiza

1 reference

stated in

Structures of Diterpenoid Tropolones, Salviolone and Miltipolone, from the Root ofSalvia miltiorrhizaBunge

Identifiers

InChI

InChI=1S/C20H28O4/c1-12(2)14-9-13(10-21)16(18(24)17(14)23)20(5)8-6-7-19(3,4)15(20)11-22/h9-12,15,23-24H,6-8H2,1-5H3/t15-,20-/m0/s1

0 references

InChIKey

VRACIFSOMXSHHB-YWZLYKJASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VRACIFSOMXSHHB-YWZLYKJASA-N

(Q105291639)

2-[(1S,2S)-2-formyl-1,3,3-trimethylcyclohexyl]-3,4-dihydroxy-5-propan-2-ylbenzaldehyde

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Identifiers

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