(Q104920709)

English

methyl 2-[(1S,2R)-2-[(3aR,4S,7R,7aR)-4-[(S)-furan-3-yl(hydroxy)methyl]-3a-hydroxy-4,7a-dimethyl-2-oxo-3,5,6,7-tetrahydro-1-benzofuran-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

chemical compound

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type of chemical entity

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subclass of

Methyl 2-[2-[4-[furan-3-yl(hydroxy)methyl]-3a-hydroxy-4,7a-dimethyl-2-oxo-3,5,6,7-tetrahydro-1-benzofuran-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

1 reference

based on heuristic

inferred from SMILES

mass

488.241018112 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₆O₈

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canonical SMILES

O=C(OC)CC1C(C(=O)C=CC1(C)C2CCC(C)(C(O)C3=COC=C3)C4(O)CC(=O)OC24C)(C)C

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isomeric SMILES

COC(=O)C[C@@H]1C(C)(C)C(=O)C=C[C@@]1(C)[C@H]1CC[C@@](C)([C@@H](O)c2ccoc2)[C@]2(O)CC(=O)O[C@]12C

0 references

found in taxon

Khaya ivorensis

1 reference

stated in

Limonoids from Khaya ivorensis

Identifiers

InChI

InChI=1S/C27H36O8/c1-23(2)18(13-20(29)33-6)24(3,10-8-19(23)28)17-7-11-25(4,22(31)16-9-12-34-15-16)27(32)14-21(30)35-26(17,27)5/h8-10,12,15,17-18,22,31-32H,7,11,13-14H2,1-6H3/t17-,18-,22+,24+,25+,26-,27-/m1/s1

0 references

InChIKey

AXPQVXURTHIQGM-IEKDFWFSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AXPQVXURTHIQGM-IEKDFWFSSA-N

(Q104920709)

methyl 2-[(1S,2R)-2-[(3aR,4S,7R,7aR)-4-[(S)-furan-3-yl(hydroxy)methyl]-3a-hydroxy-4,7a-dimethyl-2-oxo-3,5,6,7-tetrahydro-1-benzofuran-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

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