(Q105149289)

English

[2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate

group of stereoisomers with the chemical formula C₂₇H₄₈O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

516.329833116 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₈O₉

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canonical SMILES

O=C(OCC(O)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCCC

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isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Sida spinosa

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stated in

Ecdysteroids and other constituents from Sida spinosa L.

Identifiers

InChI

InChI=1S/C27H48O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h6-7,9-10,21-22,24-29,31-33H,2-5,8,11-20H2,1H3/b7-6-,10-9-/t21?,22-,24+,25+,26-,27-/m1/s1

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InChIKey

LBHUIJRTHBBWHP-HJFVYBCQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LBHUIJRTHBBWHP-HJFVYBCQSA-N

1 reference

(Q105149289)

[2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate

Statements

Identifiers

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