(Q105141954)

English

methyl (Z)-3-[(1S,2R,4S,7S,8S,11R,12R,16S,18R)-7-(furan-3-yl)-18-hydroxy-1,8,15,15-tetramethyl-5,17-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 3-[7-(furan-3-yl)-18-hydroxy-1,8,15,15-tetramethyl-5,17-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

500.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (E)-3-[(1S,2R,4S,7S,8S,11R,12S,16R,18S)-7-(furan-3-yl)-18-hydroxy-1,8,15,15-tetramethyl-5,17-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

1 reference

methyl (Z)-3-[(1S,2R,4S,7S,8S,11R,12S,16R,18R)-7-(furan-3-yl)-18-hydroxy-1,8,15,15-tetramethyl-5,17-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₂O₉

0 references

canonical SMILES

O=C(OC)C=CC12COC(C)(C)C2C(=O)C(O)C3(C)C1CCC4(C)C(OC(=O)C5OC543)C6=COC=C6

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isomeric SMILES

COC(=O)/C=C\[C@]12COC(C)(C)[C@H]1C(=O)[C@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321

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found in taxon

Atalantia monophylla

1 reference

stated in

Limonoids from Atalantia monophylla

Kumquat

1 reference

stated in

Limonoids from Atalantia monophylla

Citrus

1 reference

stated in

Limonoids from Atalantia monophylla

Identifiers

InChI

InChI=1S/C27H32O9/c1-23(2)18-17(29)19(30)25(4)15(26(18,13-34-23)10-7-16(28)32-5)6-9-24(3)20(14-8-11-33-12-14)35-22(31)21-27(24,25)36-21/h7-8,10-12,15,18-21,30H,6,9,13H2,1-5H3/b10-7-/t15-,18+,19-,20-,21+,24-,25-,26+,27+/m0/s1

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InChIKey

KJSXPAGGMDDLNZ-NNKUYGFOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KJSXPAGGMDDLNZ-NNKUYGFOSA-N

(Q105141954)

methyl (Z)-3-[(1S,2R,4S,7S,8S,11R,12R,16S,18R)-7-(furan-3-yl)-18-hydroxy-1,8,15,15-tetramethyl-5,17-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate

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