(Q105155559)

English

[(3aR,4S,6aR,9aR,9bS)-9-methyl-3,6-dimethylidene-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[9-methyl-3,6-dimethylidene-2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

1 reference

based on heuristic

inferred from SMILES

mass

558.210111908 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

1 reference

based on heuristic

inferred from InChIKey

[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₄O₁₁

0 references

canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)CC3=CC=C(O)C=C3)CC(=C)C4CC(OC5OC(CO)C(O)C(O)C5O)=C(C)C24

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)Cc1ccc(O)cc1)CC(=C)[C@@H]1CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C(C)[C@H]21

0 references

found in taxon

Youngia japonica

1 reference

stated in

Studies on sesquiterpene glycosides from Crepis japonica BENTH.

Identifiers

InChI

InChI=1S/C29H34O11/c1-12-8-19(37-21(32)9-15-4-6-16(31)7-5-15)23-14(3)28(36)40-27(23)22-13(2)18(10-17(12)22)38-29-26(35)25(34)24(33)20(11-30)39-29/h4-7,17,19-20,22-27,29-31,33-35H,1,3,8-11H2,2H3/t17-,19-,20+,22-,23+,24+,25-,26+,27-,29+/m0/s1

0 references

InChIKey

LQIMVHNPYMFGPH-RBBIMSEDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LQIMVHNPYMFGPH-RBBIMSEDSA-N

(Q105155559)

[(3aR,4S,6aR,9aR,9bS)-9-methyl-3,6-dimethylidene-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-(4-hydroxyphenyl)acetate

Statements

Identifiers

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