(Q105146582)

English

methyl (2S)-2-acetyloxy-2-[(1R,2R,6S,7S,8S,10S,12R,14R,15S,16S,17R,18S,19S,20S)-8,19,20-triacetyloxy-6-(furan-3-yl)-18-hydroxy-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-16-yl]acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

Methyl 2-acetyloxy-2-[8,19,20-triacetyloxy-6-(furan-3-yl)-18-hydroxy-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-16-yl]acetate

1 reference

based on heuristic

inferred from SMILES

760.257849948 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₄O₁₇

0 references

canonical SMILES

O=C(OC(C(=O)OC)C1C2(C)CC34OC5(OC6(C(OC(=O)C)C3(OC(=O)C)C2O)C7CC(=O)OC(C8=COC=C8)C7(C)C(OC(=O)C)CC6(O5)C14C)C)C

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isomeric SMILES

COC(=O)[C@@H](OC(C)=O)[C@@H]1[C@@]2(C)[C@@]34C[C@H](OC(C)=O)[C@@]5(C)[C@H](c6ccoc6)OC(=O)C[C@H]5[C@]35O[C@](C)(O4)O[C@]23C[C@@]1(C)[C@H](O)[C@]3(OC(C)=O)[C@H]5OC(C)=O

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Xylocarpus granatum

1 reference

Limonoids from the Seeds of a Hainan Mangrove, Xylocarpus granatum

Identifiers

InChI=1S/C37H44O17/c1-16(38)47-22-13-34-32(7)25(24(27(43)45-9)48-17(2)39)30(5)15-35(32)37(28(30)44,51-19(4)41)29(49-18(3)40)36(34,54-33(8,52-34)53-35)21-12-23(42)50-26(31(21,22)6)20-10-11-46-14-20/h10-11,14,21-22,24-26,28-29,44H,12-13,15H2,1-9H3/t21-,22+,24+,25+,26+,28+,29+,30-,31+,32+,33-,34+,35-,36-,37+/m1/s1

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KVKWJIYJUPHQFZ-CPWJCNHSSA-N

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2 references

15 September 2022

matched by identifier from

KVKWJIYJUPHQFZ-CPWJCNHSSA-N

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