(Q105156964)

English

methyl (2R)-2-[(1S,2S,3S,4R,7S,8S,12R,14R,15S,16R,17S,18S)-1-acetyloxy-8-(furan-3-yl)-3,15-dihydroxy-14-methoxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

Methyl 2-[1-acetyloxy-8-(furan-3-yl)-3,15-dihydroxy-14-methoxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate

1 reference

based on heuristic

inferred from SMILES

mass

590.236326656 dalton

1 reference

1 reference

C₃₀H₃₈O₁₂

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canonical SMILES

O=C(OC12CC3(C)C(O)C4(OC)OC56CC(=O)OC(C7=COC=C7)C6(C)CCC(C5(O)C41)C2(C)C3C(O)C(=O)OC)C

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isomeric SMILES

COC(=O)[C@H](O)[C@@H]1[C@@]2(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@]45O[C@]4(OC)[C@H]([C@@]2(OC(C)=O)C[C@@]1(C)[C@@H]4O)[C@@]35O

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found in taxon

Khaya senegalensis

1 reference

stated in

Limonoids from leaves of Khaya senegalensis

Identifiers

InChI

InChI=1S/C30H38O12/c1-14(31)41-27-13-24(2)19(18(33)21(34)37-5)26(27,4)16-7-9-25(3)20(15-8-10-39-12-15)40-17(32)11-28(25)29(16,36)22(27)30(38-6,42-28)23(24)35/h8,10,12,16,18-20,22-23,33,35-36H,7,9,11,13H2,1-6H3/t16-,18-,19+,20+,22-,23+,24-,25+,26-,27+,28-,29+,30-/m1/s1

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InChIKey

LTIVEUMKJFYIQE-LEQQIJLQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LTIVEUMKJFYIQE-LEQQIJLQSA-N

(Q105156964)

methyl (2R)-2-[(1S,2S,3S,4R,7S,8S,12R,14R,15S,16R,17S,18S)-1-acetyloxy-8-(furan-3-yl)-3,15-dihydroxy-14-methoxy-7,16,18-trimethyl-10-oxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate

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