(Q104400468)

English

methyl (1R,3S,6S,7S,10R,11S)-6-(furan-3-yl)-7,11-dimethyl-4-oxo-10-[(1R,6R)-1,5,5-trimethyl-4-oxo-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-yl]-2,5-dioxatricyclo[5.4.0.0¹,³]undecane-11-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl 4-(furan-3-yl)-4a,8-dimethyl-2-oxo-7-[1,5,5-trimethyl-4-oxo-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]cyclohex-2-en-1-yl]-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromene-8-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

648.278191468 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1R,3S,6S,7S,10R,11R)-6-(furan-3-yl)-7,11-dimethyl-4-oxo-10-[(1R,6S)-1,5,5-trimethyl-4-oxo-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-yl]-2,5-dioxatricyclo[5.4.0.0¹,³]undecane-11-carboxylate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₄O₁₃

0 references

canonical SMILES

O=C1OC(C2=COC=C2)C3(C)CCC(C4(C=CC(=O)C(C)(C)C4COC5OC(CO)C(O)C(O)C5O)C)C(C(=O)OC)(C)C63OC16

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isomeric SMILES

COC(=O)[C@@]1(C)[C@@H]([C@@]2(C)C=CC(=O)C(C)(C)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321

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found in taxon

Khaya ivorensis

1 reference

stated in

Limonoids from Khaya ivorensis

Khaya senegalensis

2 references

stated in

Three new modified limonoids from Khaya senegalensis

stated in

Rearranged limonoids from Khaya senegalensis

Identifiers

InChI

InChI=1S/C33H44O13/c1-29(2)19(15-43-27-23(38)22(37)21(36)17(13-34)44-27)30(3,10-8-20(29)35)18-7-11-31(4)24(16-9-12-42-14-16)45-26(39)25-33(31,46-25)32(18,5)28(40)41-6/h8-10,12,14,17-19,21-25,27,34,36-38H,7,11,13,15H2,1-6H3/t17-,18-,19+,21-,22+,23-,24+,25-,27-,30-,31+,32-,33-/m1/s1

0 references

InChIKey

OOWUHRQISTYBRO-NBPOMTDNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OOWUHRQISTYBRO-NBPOMTDNSA-N

1 reference

(Q104400468)

methyl (1R,3S,6S,7S,10R,11S)-6-(furan-3-yl)-7,11-dimethyl-4-oxo-10-[(1R,6R)-1,5,5-trimethyl-4-oxo-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-yl]-2,5-dioxatricyclo[5.4.0.0¹,³]undecane-11-carboxylate

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Identifiers

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