(Q105157898)

English

methyl 2-[(1S,2S,3S,7S,8S,12R,14R,15S,16R,17S,18S)-8-(furan-3-yl)-1,3,15-trihydroxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]acetate

group of stereoisomers with the chemical formula C₂₇H₃₄O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

502.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₉

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canonical SMILES

O=C(OC)CC1C2(C)CC3(O)C4C(OC56CC(=O)OC(C7=COC=C7)C6(C)CCC(C45O)C13C)C2O

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isomeric SMILES

COC(=O)C[C@@H]1[C@@]2(C)C3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@]45O[C@@H]4[C@@H]([C@@]2(O)C[C@@]1(C)[C@@H]4O)[C@@]35O

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found in taxon

Khaya senegalensis

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stated in

Rearranged limonoids from Khaya senegalensis

Identifiers

InChI

InChI=1S/C27H34O9/c1-22-12-25(31)19-18(20(22)30)36-26-10-17(29)35-21(13-6-8-34-11-13)23(26,2)7-5-14(27(19,26)32)24(25,3)15(22)9-16(28)33-4/h6,8,11,14-15,18-21,30-32H,5,7,9-10,12H2,1-4H3/t14?,15-,18+,19-,20+,21-,22+,23-,24+,25-,26+,27-/m0/s1

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InChIKey

LVKULLURUFYYEU-WSAROZLISA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

LVKULLURUFYYEU-WSAROZLISA-N

1 reference

(Q105157898)

methyl 2-[(1S,2S,3S,7S,8S,12R,14R,15S,16R,17S,18S)-8-(furan-3-yl)-1,3,15-trihydroxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]acetate

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Identifiers

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