(Q105116372)

English

(3abeta,6abeta,9abeta,9balpha)-6,9-Dimethylene-4alpha-hydroxy-8alpha-(beta-D-glucopyranosyloxy)-3beta-(methoxymethyl)decahydroazuleno[4,5-b]furan-2(3H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-hydroxy-3-(methoxymethyl)-6,9-dimethylidene-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

456.199547224 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₁₀

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canonical SMILES

O=C1OC2C3C(=C)C(OC4OC(CO)C(O)C(O)C4O)CC3C(=C)CC(O)C2C1COC

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isomeric SMILES

C=C1C[C@@H](O)[C@H]2[C@H](COC)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12

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found in taxon

Crepis mollis

1 reference

stated in

Sesquiterpenoids and phenolics from Crepis mollis

Identifiers

InChI

InChI=1S/C22H32O10/c1-8-4-12(24)16-11(7-29-3)21(28)32-20(16)15-9(2)13(5-10(8)15)30-22-19(27)18(26)17(25)14(6-23)31-22/h10-20,22-27H,1-2,4-7H2,3H3/t10-,11-,12+,13-,14+,15-,16+,17+,18-,19+,20+,22+/m0/s1

0 references

InChIKey

INSIZZAHTZXHAX-AKWSMZPSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

INSIZZAHTZXHAX-AKWSMZPSSA-N

1 reference

(Q105116372)

(3abeta,6abeta,9abeta,9balpha)-6,9-Dimethylene-4alpha-hydroxy-8alpha-(beta-D-glucopyranosyloxy)-3beta-(methoxymethyl)decahydroazuleno[4,5-b]furan-2(3H)-one

Statements

Identifiers

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