(Q104956261)

English

(alphaR,4R,4aR,6aS,7R,8S,10R, 11S)-Methyl alpha-acetoxy-4-(3-furanyl)-10-hydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-7,11-methano-2H-cycloocta[f][2]benzopyran-8-acetate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 2-acetyloxy-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]acetate

1 reference

based on heuristic

inferred from SMILES

mass

528.235932732 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₆O₉

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canonical SMILES

O=C(OC(C(=O)OC)C1C2(C(=O)C(CC3=C4CC(=O)OC(C5=COC=C5)C4(C)CCC32)C(O)C1(C)C)C)C

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isomeric SMILES

COC(=O)[C@H](OC(C)=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

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found in taxon

Swietenia mahagoni

2 references

stated in

Platelet aggregation inhibitors from the seeds of Swietenia mahagoni: inhibition of in vitro and in vivo platelet-activating factor-induced effects of tetranortriterpenoids related to swietenine and swietenolide

stated in

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

Swietenia aubrevilleana

1 reference

stated in

Limonoids from Swietenia macrophylla and S. aubrevilleana

Swietenia macrophylla

1 reference

stated in

Limonoids from Swietenia macrophylla and S. aubrevilleana

Identifiers

InChI

InChI=1S/C29H36O9/c1-14(30)37-21(26(34)35-6)22-27(2,3)23(32)17-11-16-18(29(22,5)24(17)33)7-9-28(4)19(16)12-20(31)38-25(28)15-8-10-36-13-15/h8,10,13,17-18,21-23,25,32H,7,9,11-12H2,1-6H3/t17-,18-,21+,22-,23+,25-,28+,29+/m0/s1

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InChIKey

CFADVMDMXMEBDZ-SEIIJOFPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CFADVMDMXMEBDZ-SEIIJOFPSA-N

1 reference

(Q104956261)

(alphaR,4R,4aR,6aS,7R,8S,10R, 11S)-Methyl alpha-acetoxy-4-(3-furanyl)-10-hydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-7,11-methano-2H-cycloocta[f][2]benzopyran-8-acetate

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