(Q105202159)

English

[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-9-(furan-3-yl)-1-hydroxy-15-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-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

0 references

subclass of

[9-(Furan-3-yl)-1-hydroxy-15-(1-hydroxy-2-methoxy-2-oxoethyl)-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

600.2570621 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2R,4S,5S,9R,10R,13R,14S,15S,17S)-9-(furan-3-yl)-1-hydroxy-15-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-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

[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-9-(furan-3-yl)-1-hydroxy-15-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-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

C₃₂H₄₀O₁₁

0 references

canonical SMILES

O=C(OC1C2(O)C(=O)C(C)(C3CCC4(C)C(OC(=O)CC4C53OC25)C6=COC=C6)C(C(O)C(=O)OC)C1(C)C)C(=CC)C

0 references

isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1C(C)(C)[C@H]([C@H](O)C(=O)OC)[C@]2(C)C(=O)[C@@]1(O)[C@H]1O[C@@]13[C@@H]2CC[C@@]1(C)[C@H](c2ccoc2)OC(=O)C[C@@H]31

0 references

found in taxon

Swietenia mahagoni

3 references

stated in

Constituents of the seeds of Swietenia mahagoni JACQ. III. Structures of mahonin and secomahoganin.

stated in

Rings B,D-seco limonoids from the leaves of Swietenia mahogani

stated in

Three New Mexicanolides from the Stem Bark of Swietenia mahogani JACQ.

Identifiers

InChI

InChI=1S/C32H40O11/c1-8-15(2)23(35)42-26-28(3,4)21(20(34)24(36)39-7)30(6)17-9-11-29(5)18(32(17)27(43-32)31(26,38)25(30)37)13-19(33)41-22(29)16-10-12-40-14-16/h8,10,12,14,17-18,20-22,26-27,34,38H,9,11,13H2,1-7H3/b15-8+/t17-,18-,20+,21+,22+,26+,27-,29-,30-,31+,32-/m1/s1

0 references

InChIKey

OWNYIZYKHUQFKG-ZVPWTFETSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OWNYIZYKHUQFKG-ZVPWTFETSA-N

(Q105202159)

[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-9-(furan-3-yl)-1-hydroxy-15-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-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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