(Q105313971)

English

methyl (2R)-2-hydroxy-2-[(1S,2R,4R,5R,6R,10R,11R,12S,13R,14S,15R,17S,18S)-4,12,14,17-tetraacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

1 reference

based on heuristic

inferred from SMILES

Methyl 2-hydroxy-2-[4,12,14,17-tetraacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate

1 reference

based on heuristic

inferred from SMILES

704.268020708 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2S)-2-hydroxy-2-[(1S,2R,4S,5S,6S,10R,11S,12R,13S,14R,15R,17S,18S)-4,12,14,17-tetraacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (2S)-2-hydroxy-2-[(1S,2S,4S,5R,6R,10S,11S,12R,13R,14S,15R,17S,18S)-4,12,14,17-tetraacetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.02,11.05,10.013,17]octadecan-18-yl]acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₄O₁₅

0 references

canonical SMILES

O=C(OC1CC2C(O)(C(OC(=O)C)C3C(OC(=O)C)C4(C)CC3(OC(=O)C)C2(C)C4C(O)C(=O)OC)C5CC(=O)OC(C6=COC=C6)C15C)C

0 references

isomeric SMILES

COC(=O)[C@H](O)[C@@H]1[C@@]2(C)[C@H]3C[C@@H](OC(C)=O)[C@]4(C)[C@@H](c5ccoc5)OC(=O)C[C@H]4[C@]3(O)[C@@H](OC(C)=O)[C@H]3[C@H](OC(C)=O)[C@]1(C)C[C@]32OC(C)=O

0 references

Xylocarpus granatum

1 reference

Limonoids from the seeds of the marine mangrove Xylocarpus granatum.

Identifiers

InChI=1S/C35H44O15/c1-15(36)46-22-11-21-33(7)26(25(41)30(42)44-8)31(5)14-34(33,50-18(4)39)24(28(31)47-16(2)37)29(48-17(3)38)35(21,43)20-12-23(40)49-27(32(20,22)6)19-9-10-45-13-19/h9-10,13,20-22,24-29,41,43H,11-12,14H2,1-8H3/t20-,21-,22-,24-,25-,26+,27-,28+,29+,31-,32-,33-,34+,35-/m1/s1

0 references

WWFHQTXLMHPBRD-SJMTWKNISA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

WWFHQTXLMHPBRD-SJMTWKNISA-N

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