(Q105202187)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

412.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₈

0 references

canonical SMILES

O=C1OC2C=C(C)C(OC3OC(CO)C(O)C(O)C3O)CC=C(C)CCC2C1C

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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]2OC(=O)[C@@H](C)[C@@H]2CC1

0 references

found in taxon

Cichorium endivia

1 reference

stated in

Sesquiterpene lactones from Cichorium endivia L. and C. intybus L. and cytotoxic activity

Cichorium intybus

1 reference

stated in

Sesquiterpene lactones from Cichorium endivia L. and C. intybus L. and cytotoxic activity

Identifiers

InChI

InChI=1S/C21H32O8/c1-10-4-6-13-12(3)20(26)27-15(13)8-11(2)14(7-5-10)28-21-19(25)18(24)17(23)16(9-22)29-21/h5,8,12-19,21-25H,4,6-7,9H2,1-3H3/b10-5+,11-8+/t12-,13-,14+,15+,16+,17+,18-,19+,21-/m0/s1

0 references

InChIKey

OWPORVMZZJAHEF-XVZIILIHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OWPORVMZZJAHEF-XVZIILIHSA-N

(Q105202187)

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

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Identifiers

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