(Q105030835)

English

3,3-Dimethyl-5alpha-(hydroxymethyl)-4alpha-hydroxy-4-[(1E,3S)-3-(beta-D-glucopyranosyloxy)-1-butenyl]cyclohexane-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

4-Hydroxy-5-(hydroxymethyl)-3,3-dimethyl-4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohexan-1-one

1 reference

based on heuristic

inferred from SMILES

mass

404.204632604 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₃₂O₉

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canonical SMILES

O=C1CC(CO)C(O)(C=CC(OC2OC(CO)C(O)C(O)C2O)C)C(C)(C)C1

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isomeric SMILES

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

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found in taxon

Pico

1 reference

stated in

Megastigmane and phenolic components from Laurus nobilis L. leaves and their inhibitory effects on nitric oxide production.

Identifiers

InChI

InChI=1S/C19H32O9/c1-10(27-17-16(25)15(24)14(23)13(9-21)28-17)4-5-19(26)11(8-20)6-12(22)7-18(19,2)3/h4-5,10-11,13-17,20-21,23-26H,6-9H2,1-3H3/b5-4+/t10-,11-,13+,14+,15-,16+,17+,19+/m0/s1

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InChIKey

HNFCTWJBJGEYGD-XWBZBGDDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HNFCTWJBJGEYGD-XWBZBGDDSA-N

1 reference

(Q105030835)

3,3-Dimethyl-5alpha-(hydroxymethyl)-4alpha-hydroxy-4-[(1E,3S)-3-(beta-D-glucopyranosyloxy)-1-butenyl]cyclohexane-1-one

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Identifiers

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