(Q105033098)

English

[(2R,3S,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-[(3S,6E,11S)-12-hydroxy-3,7,11-trimethyldodeca-1,6-dien-3-yl]oxyoxan-2-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[5-Acetyloxy-3,4-dihydroxy-6-(12-hydroxy-3,7,11-trimethyldodeca-1,6-dien-3-yl)oxyoxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

486.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-[(3S,6E,11R)-12-hydroxy-3,7,11-trimethyldodeca-1,6-dien-3-yl]oxyoxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₄₂O₉

0 references

canonical SMILES

O=C(OCC1OC(OC(C=C)(C)CCC=C(C)CCCC(C)CO)C(OC(=O)C)C(O)C1O)C

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isomeric SMILES

C=C[C@](C)(CC/C=C(\C)CCC[C@H](C)CO)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1OC(C)=O

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found in taxon

Gaillardia aestivalis

1 reference

stated in

Isoflavones, a sesquiterpene lactone-monoterpene adduct and other constituents of Gaillardia species

Identifiers

InChI

InChI=1S/C25H42O9/c1-7-25(6,13-9-12-16(2)10-8-11-17(3)14-26)34-24-23(32-19(5)28)22(30)21(29)20(33-24)15-31-18(4)27/h7,12,17,20-24,26,29-30H,1,8-11,13-15H2,2-6H3/b16-12+/t17-,20+,21+,22-,23+,24-,25+/m0/s1

0 references

InChIKey

HSLJXOGNOJMDIV-OEISXWRRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HSLJXOGNOJMDIV-OEISXWRRSA-N

(Q105033098)

[(2R,3S,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-[(3S,6E,11S)-12-hydroxy-3,7,11-trimethyldodeca-1,6-dien-3-yl]oxyoxan-2-yl]methyl acetate

Statements

Identifiers

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