(Q105173265)

English

methyl (2S)-2-acetyloxy-2-[(1R,2R,6S,7S,8S,10S,12S,14S,15R,16S,17R,18R,19S,20R)-8,18,20-triacetyloxy-6-(furan-3-yl)-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-[8,18,20-triacetyloxy-6-(furan-3-yl)-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

744.262935328 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₄₄O₁₆

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canonical SMILES

O=C(OC(C(=O)OC)C1C2(C)CC34OC5(OC6(C(OC(=O)C)C3C2OC(=O)C)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[C@]34O[C@@]5(C)O[C@@]6(C[C@H](OC(C)=O)[C@@]7(C)[C@H](c8ccoc8)OC(=O)C[C@H]7[C@@]6(O5)[C@H](OC(C)=O)[C@@H]3[C@H]2OC(C)=O)[C@]14C

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Xylocarpus granatum

1 reference

Xylocarpins A-I, limonoids from the Chinese mangrove plant Xylocarpus granatum.

Identifiers

InChI=1S/C37H44O16/c1-16(38)46-22-13-36-33(7)26(25(30(43)44-9)47-17(2)39)31(5)15-35(33)24(28(31)48-18(3)40)29(49-19(4)41)37(36,53-34(8,51-35)52-36)21-12-23(42)50-27(32(21,22)6)20-10-11-45-14-20/h10-11,14,21-22,24-29H,12-13,15H2,1-9H3/t21-,22+,24+,25+,26+,27+,28-,29-,31-,32+,33-,34+,35+,36+,37-/m1/s1

0 references

MVSTZQODPJTAFU-CPPLCPPWSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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