(Q105234256)

English

(1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-5,9-dimethyl-14-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

14-Hydroxy-5,9-dimethyl-14-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

498.282882924 dalton

1 reference

1 reference

C₂₆H₄₂O₉

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canonical SMILES

O=C(O)C1(C)CCCC2(C)C1CCC34CC(CCC32)C(O)(COC5OC(CO)C(O)C(O)C5O)C4

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isomeric SMILES

C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3

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found in taxon

Sagittaria trifolia

1 reference

stated in

Absolute stereostructures of trifoliones A, B, C, and D, new biologically active diterpenes from the tuber of Sagittaria trifolia L

Sagittaria sagittifolia

1 reference

stated in

Absolute stereostructures of trifoliones A, B, C, and D, new biologically active diterpenes from the tuber of Sagittaria trifolia L

Identifiers

InChI

InChI=1S/C26H42O9/c1-23-7-3-8-24(2,22(31)32)16(23)6-9-25-10-14(4-5-17(23)25)26(33,12-25)13-34-21-20(30)19(29)18(28)15(11-27)35-21/h14-21,27-30,33H,3-13H2,1-2H3,(H,31,32)/t14-,15-,16+,17+,18-,19+,20-,21-,23-,24-,25+,26+/m1/s1

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InChIKey

RDJJPCDVQOJULI-GCLNSZEHSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105234256)

(1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-5,9-dimethyl-14-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Statements

Identifiers

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