(Q105381298)

English

[4-Hydroxy-5-(hydroxymethyl)-2-[[3,4,5-trihydroxy-6-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxan-2-yl]methoxy]oxolan-3-yl] 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₂₈H₄₀O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

menthane monoterpenoids

1 reference

inferred from

menthane monoterpenoids

mass

600.24180596 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₀O₁₄

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canonical SMILES

O=C(OC1C(O)C(OC1OCC2OC(OC(C)(C)C3CC=C(C)CC3)C(O)C(O)C2O)CO)C4=CC(O)=C(O)C(O)=C4

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Identifiers

InChI

InChI=1S/C28H40O14/c1-12-4-6-14(7-5-12)28(2,3)42-26-23(36)22(35)20(33)18(40-26)11-38-27-24(21(34)17(10-29)39-27)41-25(37)13-8-15(30)19(32)16(31)9-13/h4,8-9,14,17-18,20-24,26-27,29-36H,5-7,10-11H2,1-3H3

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InChIKey

ZPXRVNRKZYBYHR-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZPXRVNRKZYBYHR-UHFFFAOYSA-N

(Q105381298)

[4-Hydroxy-5-(hydroxymethyl)-2-[[3,4,5-trihydroxy-6-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]oxan-2-yl]methoxy]oxolan-3-yl] 3,4,5-trihydroxybenzoate

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