(Q104969344)

English

methyl 2-[(4R,4aR,6aS,6bS,7R,11aR)-4-(furan-3-yl)-6a-hydroxy-4a,6b,8,8,11a-pentamethyl-2,9-dioxo-4,5,6,7-tetrahydro-[1]benzofuro[2,3-f]isochromen-7-yl]acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 2-[4-(furan-3-yl)-6a-hydroxy-4a,6b,8,8,11a-pentamethyl-2,9-dioxo-4,5,6,7-tetrahydro-[1]benzofuro[2,3-f]isochromen-7-yl]acetate

1 reference

based on heuristic

inferred from SMILES

mass

484.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂O₈

0 references

canonical SMILES

O=C1OC(C2=COC=C2)C3(C(=C1)C4(OC5=CC(=O)C(C)(C)C(CC(=O)OC)C5(C)C4(O)CC3)C)C

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isomeric SMILES

COC(=O)C[C@H]1C(C)(C)C(=O)C=C2O[C@]3(C)C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@]3(O)[C@@]21C

0 references

found in taxon

Hortia oreadica

1 reference

stated in

New limonoids from Hortia oreadica and unexpected coumarin from H. superba using chromatography over cleaning Sephadex with sodium hypochlorite.

Identifiers

InChI

InChI=1S/C27H32O8/c1-23(2)16(11-20(29)32-6)25(4)19(13-18(23)28)35-26(5)17-12-21(30)34-22(15-7-10-33-14-15)24(17,3)8-9-27(25,26)31/h7,10,12-14,16,22,31H,8-9,11H2,1-6H3/t16-,22-,24+,25+,26+,27-/m0/s1

0 references

InChIKey

CSJFWPRZNAQWMC-WALPXJTHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CSJFWPRZNAQWMC-WALPXJTHSA-N

(Q104969344)

methyl 2-[(4R,4aR,6aS,6bS,7R,11aR)-4-(furan-3-yl)-6a-hydroxy-4a,6b,8,8,11a-pentamethyl-2,9-dioxo-4,5,6,7-tetrahydro-[1]benzofuro[2,3-f]isochromen-7-yl]acetate

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