(Q104953746)

English

[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(4S,6E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl]oxyoxan-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[4,5-Dihydroxy-6-(hydroxymethyl)-2-(10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl)oxyoxan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

442.256668176 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(4S,6E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl]oxyoxan-3-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₈O₈

0 references

canonical SMILES

O=C(OC1C(OC(C=C(C)C)CC(=CCCC(O)(C=C)C)C)OC(CO)C(O)C1O)C

0 references

isomeric SMILES

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

0 references

found in taxon

Geigeria ornativa

1 reference

stated in

Sesquiterpene lactones and other terpenes from Geigeria species

Identifiers

InChI

InChI=1S/C23H38O8/c1-7-23(6,28)10-8-9-15(4)12-17(11-14(2)3)30-22-21(29-16(5)25)20(27)19(26)18(13-24)31-22/h7,9,11,17-22,24,26-28H,1,8,10,12-13H2,2-6H3/b15-9+/t17-,18-,19-,20+,21-,22-,23+/m1/s1

0 references

InChIKey

CCRJIVNPGUBIIZ-HSQDOLFOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CCRJIVNPGUBIIZ-HSQDOLFOSA-N

(Q104953746)

[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(4S,6E,10R)-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl]oxyoxan-3-yl] acetate

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