(Q104392304)

English

(2Z)-2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(E)-4-methyl-6-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]hex-3-enyl]cyclohexylidene]propanal

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[4-methyl-6-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)hex-3-en-1-yl]cyclohexylidene]propanal

1 reference

based on heuristic

inferred from SMILES

mass

472.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2Z)-2-[(2S,3R,4S)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(E)-4-methyl-6-[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]hex-3-enyl]cyclohexylidene]propanal

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2Z)-2-[(2S,3R,4R)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(E)-4-methyl-6-[(1S,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]hex-3-enyl]cyclohexylidene]propanal

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₅₂O₃

0 references

canonical SMILES

O=CC(=C1CCC(O)(C)C(C)(CCC=C(C)CCC2C(=CCC(C)C2(C)C)C)C1CCCO)C

0 references

isomeric SMILES

CC1=CC[C@H](C)C(C)(C)[C@@H]1CC/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O

0 references

found in taxon

Iris x germanica

5 references

stated in

Composition of Iridals, Unusual Triterpenoids from Sword-Lilies, and the Seasonal Dependence of Their Content in Various Parts of Different Iris Species

stated in

Isolation and Structure Determination of the Precursors of a-and y-Irone and Homologous Compounds from Iris pallida and Iris florentina

stated in

New piscicidal triterpenes from Iris germanica.

stated in

Cytotoxicity of iridals, triterpenoids from Iris, on human tumor cell lines A2780 and K562.

stated in

Identification of iridals as piscicidal components of Iridaceous plants and their conformations associated with CD spectra

Iris pallida

3 references

stated in

Composition of Iridals, Unusual Triterpenoids from Sword-Lilies, and the Seasonal Dependence of Their Content in Various Parts of Different Iris Species

stated in

Analysis of Constituents ofIrisRhizomes. Part III—Packed Column Supercritical Fluid Chromatography and High Pressure Liquid Chromatography of Iridals from Rhizomes of Iris pallidaL.

stated in

Isolation and Structure Determination of the Precursors of a-and y-Irone and Homologous Compounds from Iris pallida and Iris florentina

Identifiers

InChI

InChI=1S/C31H52O3/c1-22(13-16-27-23(2)14-15-25(4)29(27,5)6)11-9-18-30(7)28(12-10-20-32)26(24(3)21-33)17-19-31(30,8)34/h11,14,21,25,27-28,32,34H,9-10,12-13,15-20H2,1-8H3/b22-11+,26-24-/t25-,27+,28+,30-,31-/m0/s1

0 references

InChIKey

GJYZRMAFYKGFKM-IFFFSDDRSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

GJYZRMAFYKGFKM-IFFFSDDRSA-N

1 reference

(Q104392304)

(2Z)-2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(E)-4-methyl-6-[(1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]hex-3-enyl]cyclohexylidene]propanal

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Identifiers

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