(Q105278069)

English

methyl 2-[(1S,2R,5R,6R,11R,13S,14R,16S)-6-(furan-3-yl)-11,14-dihydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-16-yl]acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 2-[6-(furan-3-yl)-11,14-dihydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-16-yl]acetate

1 reference

based on heuristic

inferred from SMILES

mass

486.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₈

0 references

canonical SMILES

O=C1OC(C2=COC=C2)C3(C(=C1)C4(O)CC5C(=O)C(C)(C4CC3)C(CC(=O)OC)C(C)(C)C5O)C

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isomeric SMILES

COC(=O)C[C@H]1C(C)(C)[C@H](O)[C@@H]2C[C@]3(O)C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O

0 references

found in taxon

Xylocarpus granatum

1 reference

stated in

Xyloccensins X1 and X2, Two New Mexicanolides from the Fruit of a Chinese Mangrove Xylocarpus granatum

Identifiers

InChI

InChI=1S/C27H34O8/c1-24(2)17(10-19(28)33-5)26(4)16-6-8-25(3)18(27(16,32)12-15(21(24)30)22(26)31)11-20(29)35-23(25)14-7-9-34-13-14/h7,9,11,13,15-17,21,23,30,32H,6,8,10,12H2,1-5H3/t15-,16+,17-,21+,23-,25+,26+,27+/m0/s1

0 references

InChIKey

URWRDOZLVNFETF-FRMGCPDPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

URWRDOZLVNFETF-FRMGCPDPSA-N

1 reference

(Q105278069)

methyl 2-[(1S,2R,5R,6R,11R,13S,14R,16S)-6-(furan-3-yl)-11,14-dihydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-9-en-16-yl]acetate

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