(Q105026975)

English

4-[4beta-[6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranosyloxy]-2,6,6-trimethyl-1-cyclohexene-1-yl]butane-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

megastigmane

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mass

504.2570621 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₄₀O₁₁

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canonical SMILES

O=C(C)CCC1=C(C)CC(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)CC1(C)C

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isomeric SMILES

CC(=O)CCC1=C(C)C[C@@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C

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found in taxon

Crataegus pinnatifida

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stated in

Terpenoids and hexenes from the leaves of Crataegus pinnatifida.

Identifiers

InChI

InChI=1S/C24H40O11/c1-11-7-13(8-24(3,4)14(11)6-5-12(2)25)34-23-21(31)19(29)18(28)16(35-23)10-33-22-20(30)17(27)15(26)9-32-22/h13,15-23,26-31H,5-10H2,1-4H3/t13-,15-,16-,17+,18-,19+,20-,21-,22+,23-/m1/s1

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InChIKey

HEPRIYFSINSFQU-BVMAHHMQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HEPRIYFSINSFQU-BVMAHHMQSA-N

1 reference

(Q105026975)

4-[4beta-[6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranosyloxy]-2,6,6-trimethyl-1-cyclohexene-1-yl]butane-2-one

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Identifiers

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