(Q105209823)

English

[(1S,4aS,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxy-3-methoxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[7-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxy-3-methoxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

498.1737264 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxy-3-methoxybenzoate

1 reference

based on heuristic

inferred from InChI

(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-5-yl 4-hydroxy-3-methoxybenzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₀O₁₂

0 references

canonical SMILES

O=C(OC1CC(O)(C)C2C(OC=CC12)OC3OC(CO)C(O)C(O)C3O)C4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(C(=O)O[C@@H]2C[C@](C)(O)[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@@H]32)ccc1O

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found in taxon

Handroanthus impetiginosum

1 reference

stated in

Further constituents from the bark of Tabebuia impetiginosa

Handroanthus impetiginosus

1 reference

stated in

Further constituents from the bark of Tabebuia impetiginosa

Rehmannia glutinosa

2 references

stated in

Six iridoid glycosides from Rehmannia glutinosa

stated in

Two iridoid glycosides from Rehmannia glutinosa

Identifiers

InChI

InChI=1S/C23H30O12/c1-23(30)8-14(33-20(29)10-3-4-12(25)13(7-10)31-2)11-5-6-32-21(16(11)23)35-22-19(28)18(27)17(26)15(9-24)34-22/h3-7,11,14-19,21-22,24-28,30H,8-9H2,1-2H3/t11-,14-,15-,16-,17-,18+,19-,21+,22+,23+/m1/s1

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InChIKey

PJAISAAYEQAVGA-JUNOEOHSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PJAISAAYEQAVGA-JUNOEOHSSA-N

(Q105209823)

[(1S,4aS,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] 4-hydroxy-3-methoxybenzoate

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Identifiers

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