(Q105368331)

English

[(1R,2R,4S,5R,9R,10R,13R,14S,15S,17R)-15-[(1R)-1-acetyloxy-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[15-(1-Acetyloxy-2-methoxy-2-oxoethyl)-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

626.272712164 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,4S,5S,9R,10R,13R,14R,15R,17R)-15-[(1R)-1-acetyloxy-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17R)-15-[(1S)-1-acetyloxy-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17R)-15-[(1R)-1-acetyloxy-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(1R,2R,4S,5S,9R,10R,13S,14S,15S,17R)-15-[(1R)-1-acetyloxy-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₂O₁₁

0 references

canonical SMILES

O=C(OC1C2C(=O)C(C)(C3CCC4(C)C(OC(=O)CC4C53OC25)C6=COC=C6)C(C(OC(=O)C)C(=O)OC)C1(C)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H]1[C@H]2C(=O)[C@@](C)([C@@H]([C@@H](OC(C)=O)C(=O)OC)C1(C)C)[C@H]1CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)C[C@H]3[C@]13O[C@H]23

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found in taxon

Swietenia macrophylla

1 reference

stated in

Limonoids from Swietenia macrophylla and S. aubrevilleana

Identifiers

InChI

InChI=1S/C34H42O11/c1-9-16(2)29(38)44-27-22-25(37)33(7,24(31(27,4)5)23(30(39)40-8)42-17(3)35)19-10-12-32(6)20(34(19)28(22)45-34)14-21(36)43-26(32)18-11-13-41-15-18/h9,11,13,15,19-20,22-24,26-28H,10,12,14H2,1-8H3/b16-9+/t19-,20-,22-,23-,24+,26+,27-,28-,32-,33-,34-/m1/s1

0 references

InChIKey

YXZMPGCTSCKFQC-NNBWOBBQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105368331)

[(1R,2R,4S,5R,9R,10R,13R,14S,15S,17R)-15-[(1R)-1-acetyloxy-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] (E)-2-methylbut-2-enoate

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Identifiers

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