(Q104908340)

English

(2R,8aalpha)-1-Methylene-3alpha-(beta-D-glucopyranosyloxy)-4abeta-methyl-7beta-[1-methyl-1-(beta-D-glucopyranosyloxy)ethyl]decalin-2beta-ol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[[3-Hydroxy-8a-methyl-4-methylidene-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,2,3,4a,5,6,7,8-octahydronaphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

578.293841532 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₆O₁₃

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canonical SMILES

OCC1OC(OC2CC3(C)CCC(CC3C(=C)C2O)C(OC4OC(CO)C(O)C(O)C4O)(C)C)C(O)C(O)C1O

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isomeric SMILES

C=C1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@]2(C)CC[C@@H](C(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12

0 references

found in taxon

Atractylodes lancea

2 references

stated in

Glycosides of Atractylodes ovata

stated in

Glycosides of Atractylodes lancea

Identifiers

InChI

InChI=1S/C27H46O13/c1-11-13-7-12(26(2,3)40-25-23(36)21(34)19(32)16(10-29)39-25)5-6-27(13,4)8-14(17(11)30)37-24-22(35)20(33)18(31)15(9-28)38-24/h12-25,28-36H,1,5-10H2,2-4H3/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21+,22-,23-,24-,25+,27+/m1/s1

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InChIKey

AASRSGDPYRSOIV-UGCRMHLPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AASRSGDPYRSOIV-UGCRMHLPSA-N

1 reference

(Q104908340)

(2R,8aalpha)-1-Methylene-3alpha-(beta-D-glucopyranosyloxy)-4abeta-methyl-7beta-[1-methyl-1-(beta-D-glucopyranosyloxy)ethyl]decalin-2beta-ol

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Identifiers

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