(Q105129911)

English

(4R)-2,13-Dioxo-4beta-(3-furyl)-4abeta,7,9,9-tetramethyl-10alpha-(tigloyloxy)-11-hydroxy-1,4,4a,5,6,6abeta,7,8,9,10,11,12bbeta-dodecahydro-7beta,11beta-methano-2H-cycloocta[f][2]benzopyran-8beta-acetic acid methyl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[(1R,5R,6R,13R,14S,16S)-6-(furan-3-yl)-13-hydroxy-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

[6-(Furan-3-yl)-13-hydroxy-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

568.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,5R,6R,10R,13R,14S,16S)-6-(furan-3-yl)-13-hydroxy-16-(2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₀O₉

0 references

canonical SMILES

O=C(OC1C2(O)C=C3C4CC(=O)OC(C5=COC=C5)C4(C)CCC3C(C2=O)(C)C(CC(=O)OC)C1(C)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1C(C)(C)[C@H](CC(=O)OC)[C@]2(C)C(=O)[C@@]1(O)C=C1[C@@H]2CC[C@]2(C)[C@H]1CC(=O)O[C@H]2c1ccoc1

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found in taxon

Capuronianthus mahafalensis

1 reference

stated in

Limonoid extractives from the genera Capuronianthus, neobeguea and Quivisianthe

Swietenia macrophylla

1 reference

stated in

Tetranortriterpenoids from Swietenia macrophylla.

Identifiers

InChI

InChI=1S/C32H40O9/c1-8-17(2)26(35)41-28-29(3,4)22(14-23(33)38-7)31(6)20-9-11-30(5)21(19(20)15-32(28,37)27(31)36)13-24(34)40-25(30)18-10-12-39-16-18/h8,10,12,15-16,20-22,25,28,37H,9,11,13-14H2,1-7H3/b17-8+/t20-,21-,22-,25-,28-,30+,31+,32-/m0/s1

0 references

InChIKey

JJTOVDGWVPPWNZ-MBCJKOHASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JJTOVDGWVPPWNZ-MBCJKOHASA-N

1 reference

(Q105129911)

(4R)-2,13-Dioxo-4beta-(3-furyl)-4abeta,7,9,9-tetramethyl-10alpha-(tigloyloxy)-11-hydroxy-1,4,4a,5,6,6abeta,7,8,9,10,11,12bbeta-dodecahydro-7beta,11beta-methano-2H-cycloocta[f][2]benzopyran-8beta-acetic acid methyl ester

Statements

Identifiers

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