(Q104938124)

English

[(1R)-1-Methyl-3-[[(3R)-2-oxo-3alpha,7beta-dimethyl-3,3aalpha,4,7,8,8aalpha-hexahydro-2H-cyclohepta[b]furan]-6-yl]propyl]beta-D-glucopyranoside

chemical compound

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instance of

type of chemical entity

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subclass of

3,7-Dimethyl-6-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

414.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R)-1-Methyl-3-[[(3S)-2-oxo-3beta,7beta-dimethyl-3,3aalpha,4,7,8,8aalpha-hexahydro-2H-cyclohepta[b]furan]-6-yl]propyl]beta-D-glucopyranoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₄O₈

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canonical SMILES

O=C1OC2CC(C(=CCC2C1C)CCC(OC3OC(CO)C(O)C(O)C3O)C)C

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isomeric SMILES

C[C@H]1C[C@H]2OC(=O)[C@H](C)[C@H]2CC=C1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Arnica amplexicaulis

1 reference

stated in

11Alpha,13-and 11beta,13-dihydro-4H-xanthalongin 4-O-beta-glucopyranosides: new sesquiterpene lactone glycosides from flowers of Arnica amplexicaulis and A. mollis

Arnica lanceolata

1 reference

stated in

11Alpha,13-and 11beta,13-dihydro-4H-xanthalongin 4-O-beta-glucopyranosides: new sesquiterpene lactone glycosides from flowers of Arnica amplexicaulis and A. mollis

Ligularia amplexicaulis

1 reference

stated in

11Alpha,13-and 11beta,13-dihydro-4H-xanthalongin 4-O-beta-glucopyranosides: new sesquiterpene lactone glycosides from flowers of Arnica amplexicaulis and A. mollis

Arnica mollis

1 reference

stated in

11Alpha,13-and 11beta,13-dihydro-4H-xanthalongin 4-O-beta-glucopyranosides: new sesquiterpene lactone glycosides from flowers of Arnica amplexicaulis and A. mollis

Identifiers

InChI

InChI=1S/C21H34O8/c1-10-8-15-14(12(3)20(26)28-15)7-6-13(10)5-4-11(2)27-21-19(25)18(24)17(23)16(9-22)29-21/h6,10-12,14-19,21-25H,4-5,7-9H2,1-3H3/t10-,11+,12+,14+,15+,16+,17+,18-,19+,21+/m0/s1

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InChIKey

BLRVOJKFYCRLAO-CJQKKZMYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BLRVOJKFYCRLAO-CJQKKZMYSA-N

1 reference

(Q104938124)

[(1R)-1-Methyl-3-[[(3R)-2-oxo-3alpha,7beta-dimethyl-3,3aalpha,4,7,8,8aalpha-hexahydro-2H-cyclohepta[b]furan]-6-yl]propyl]beta-D-glucopyranoside

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Identifiers

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