(Q105024912)

English

(3S,3aR,4S,5E,7S,9E,11aS)-4-hydroxy-3,6,10-trimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-2-one

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

germacrane sesquiterpenoid

0 references

mass

428.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,3aS,4R,5E,7R,9E,11aS)-4-hydroxy-3,6,10-trimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,3aS,4R,7R,11aS)-4-hydroxy-3,6,10-trimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-2-one

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₁H₃₂O₉

0 references

canonical SMILES

O=C1OC2CC(=CCC(OC3OC(CO)C(O)C(O)C3O)C(=CC(O)C2C1C)C)C

0 references

isomeric SMILES

C/C1=C\C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(C)=C/[C@H](O)[C@@H]2[C@H](C1)OC(=O)[C@H]2C

0 references

found in taxon

Cichorium endivia

1 reference

stated in

Sesquiterpenes from the roots of Cichorium endivia

Identifiers

InChI

InChI=1S/C21H32O9/c1-9-4-5-13(29-21-19(26)18(25)17(24)15(8-22)30-21)10(2)7-12(23)16-11(3)20(27)28-14(16)6-9/h4,7,11-19,21-26H,5-6,8H2,1-3H3/b9-4+,10-7+/t11-,12-,13-,14-,15+,16+,17+,18-,19+,21+/m0/s1

0 references

InChIKey

HAJGGPOOUMMUSU-GPEWDUERSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105024912)

(3S,3aR,4S,5E,7S,9E,11aS)-4-hydroxy-3,6,10-trimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-2-one

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)