(Q104999872)

English

[(1R,2R)-2-[(1aS,4S,4aS,7R,8S,8aS)-8-(acetyloxymethyl)-4-(furan-3-yl)-4a,8-dimethyl-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]methyl acetate

chemical compound

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type of chemical entity

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subclass of

[2-[8-(acetyloxymethyl)-4-(furan-3-yl)-4a,8-dimethyl-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

542.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₈O₉

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canonical SMILES

O=C(OCC1C(C(=O)C=CC1(C)C2CCC3(C)C(OC(=O)C4OC43C2(C)COC(=O)C)C5=COC=C5)(C)C)C

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isomeric SMILES

CC(=O)OC[C@H]1C(C)(C)C(=O)C=C[C@]1(C)[C@H]1CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]32[C@]1(C)COC(C)=O

0 references

found in taxon

Swietenia mahagoni

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C30H38O9/c1-17(31)36-15-21-26(3,4)22(33)9-11-27(21,5)20-8-12-28(6)23(19-10-13-35-14-19)38-25(34)24-30(28,39-24)29(20,7)16-37-18(2)32/h9-11,13-14,20-21,23-24H,8,12,15-16H2,1-7H3/t20-,21+,23+,24-,27-,28+,29-,30-/m1/s1

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InChIKey

FQTQTFGYCBKCGB-VHIHOINPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FQTQTFGYCBKCGB-VHIHOINPSA-N

(Q104999872)

[(1R,2R)-2-[(1aS,4S,4aS,7R,8S,8aS)-8-(acetyloxymethyl)-4-(furan-3-yl)-4a,8-dimethyl-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]methyl acetate

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