(Q104971298)

English

methyl (2R)-2-[(1R,2S,5R,6R,13S,14R,16S)-6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]-2-hydroxyacetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 2-[6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from SMILES

mass

486.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2R)-2-[(1R,2R,5S,6R,13S,14S,16S)-6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]-2-hydroxyacetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (2R)-2-[(1S,2R,5R,6R,13R,14S,16S)-6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₄O₈

0 references

canonical SMILES

O=C1OC(C2=COC=C2)C3(C(=C4CC5C(=O)C(C)(C4CC3)C(C(O)C(=O)OC)C(C)(C)C5O)C1)C

0 references

isomeric SMILES

COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](O)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O

0 references

found in taxon

Cedrela odorata

1 reference

stated in

Limonoids from the stem bark of Cedrela odorata

Ekebergia capensis

1 reference

stated in

Antiplasmodial triterpenoids from Ekebergia capensis.

Swietenia macrophylla

2 references

stated in

Limonoid extractives from Swietenia macrophylla

stated in

Limonoids from Swietenia macrophylla and S. aubrevilleana

Swietenia aubrevilleana

1 reference

stated in

Limonoids from Swietenia macrophylla and S. aubrevilleana

Swietenia mahagoni

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C27H34O8/c1-25(2)20(19(29)24(32)33-5)27(4)16-6-8-26(3)17(14(16)10-15(21(25)30)22(27)31)11-18(28)35-23(26)13-7-9-34-12-13/h7,9,12,15-16,19-21,23,29-30H,6,8,10-11H2,1-5H3/t15-,16-,19+,20-,21+,23-,26+,27+/m0/s1

0 references

InChIKey

CWIUUACMAKLANV-UFQDEJKPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CWIUUACMAKLANV-UFQDEJKPSA-N

SureChEMBL ID

SCHEMBL2518205

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CWIUUACMAKLANV-UFQDEJKPSA-N

1 reference

(Q104971298)

methyl (2R)-2-[(1R,2S,5R,6R,13S,14R,16S)-6-(furan-3-yl)-14-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]-2-hydroxyacetate

Statements

Identifiers

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