(Q105268363)

English

(2S,3S,4R,5R,6S)-2-[[(1S,4S,6R,9S,10R,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[[14-Hydroxy-14-(hydroxymethyl)-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

484.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₄₄O₈

0 references

canonical SMILES

OCC1OC(OC2CCC3(C)C4CCC5CC4(CCC3C2(C)C)CC5(O)CO)C(O)C(O)C1O

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isomeric SMILES

CC1(C)[C@H]2CC[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CC[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@](O)(CO)C4

0 references

found in taxon

Q15561302

1 reference

stated in

New constituents from Mikania laevigata Shultz Bip. ex Baker

Identifiers

InChI

InChI=1S/C26H44O8/c1-23(2)16-6-9-25-10-14(26(32,12-25)13-28)4-5-17(25)24(16,3)8-7-18(23)34-22-21(31)20(30)19(29)15(11-27)33-22/h14-22,27-32H,4-13H2,1-3H3/t14-,15+,16-,17+,18-,19+,20-,21+,22-,24-,25+,26+/m1/s1

0 references

InChIKey

TZSJZZXUCLOPQF-FKAMMTSGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105268363)

(2S,3S,4R,5R,6S)-2-[[(1S,4S,6R,9S,10R,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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