(Q104945337)

English

[(1S,2R,5R,6R,11S,13R,14S,16R)-13-acetyloxy-6-(furan-3-yl)-11-hydroxy-16-(2-methoxy-2-oxoethyl)-5,15,15-trimethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-14-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

[13-Acetyloxy-6-(furan-3-yl)-11-hydroxy-16-(2-methoxy-2-oxoethyl)-5,15,15-trimethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-14-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

612.2570621 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₀O₁₁

0 references

canonical SMILES

O=C1OC(C2=COC=C2)C3(C(=C1)C4(O)CC5(OC(=O)C)C(=O)C(C4CC3)C(CC(=O)OC)C(C)(C)C5OC(=O)C(=CC)C)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@@H]2C(=O)[C@@]1(OC(C)=O)C[C@@]1(O)C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CC[C@H]21

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found in taxon

Carapa guianensis

1 reference

stated in

Absolute stereostructure of Andirolides A–G from the flower of Carapa guianensis (Meliaceae)

Identifiers

InChI

InChI=1S/C33H40O11/c1-8-17(2)28(38)43-29-30(4,5)21(13-23(35)40-7)25-20-9-11-31(6)22(14-24(36)42-27(31)19-10-12-41-15-19)32(20,39)16-33(29,26(25)37)44-18(3)34/h8,10,12,14-15,20-21,25,27,29,39H,9,11,13,16H2,1-7H3/b17-8+/t20-,21-,25-,27+,29+,31-,32+,33+/m1/s1

0 references

InChIKey

BSOJGAKNJHEOLF-PPYWENKJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BSOJGAKNJHEOLF-PPYWENKJSA-N

(Q104945337)

[(1S,2R,5R,6R,11S,13R,14S,16R)-13-acetyloxy-6-(furan-3-yl)-11-hydroxy-16-(2-methoxy-2-oxoethyl)-5,15,15-trimethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-14-yl] (E)-2-methylbut-2-enoate

Statements

Identifiers

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