(Q110185557)

English

methyl (2R)-2-acetyloxy-2-[(1S,4S,5S,9S,10S,12S,14R,15S,16R,18S,19S,20R,22S)-15,22-diacetyloxy-5-(furan-3-yl)-9,16-dihydroxy-4,12,18,20-tetramethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docosan-19-yl]acetate

chemical compound

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No description defined

Statements

type of chemical entity

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chemical compound

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718.247285264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₂O₁₆

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canonical SMILES

O=C(OC(C(=O)OC)C1C2(C)CC3(O)C(OC(=O)C)(C2OC(=O)C)C4OC5(OC6(CCC7(C)C(OC(=O)CC7(O)C46O5)C8=COC=C8)C13C)C)C

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isomeric SMILES

COC(=O)[C@H](OC(C)=O)[C@H]1[C@]2(C)C[C@]3(O)[C@](OC(C)=O)([C@H]2OC(C)=O)[C@H]2O[C@]4(C)O[C@]25[C@]2(O)CC(=O)O[C@@H](c6ccoc6)[C@]2(C)CC[C@]5(O4)[C@]13C

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Xylocarpus granatum

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Protoxylocarpins F-H, protolimonoids from seed kernels of Xylocarpus granatum.

Xylocarpins A-I, Limonoids from the Chinese Mangrove Plant Xylocarpus granatum

Identifiers

InChI=1S/C35H42O16/c1-16(36)45-21(24(40)43-8)22-27(4)15-32(42)29(22,6)33-11-10-28(5)23(19-9-12-44-14-19)47-20(39)13-31(28,41)35(33)26(49-30(7,50-33)51-35)34(32,48-18(3)38)25(27)46-17(2)37/h9,12,14,21-23,25-26,41-42H,10-11,13,15H2,1-8H3/t21-,22+,23+,25+,26-,27+,28+,29-,30+,31+,32-,33+,34+,35+/m1/s1

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GFLIESFIYQDBCP-LIFKDJGQSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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