(Q105302115)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

484.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₇

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canonical SMILES

O=C(OC)CC1C2(C(=O)C(C)(CC3=C4CC(=O)OC(C5=COC=C5)C4(C)CCC32)C(O)C1(C)C)C

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isomeric SMILES

COC(=O)C[C@H]1C(C)(C)[C@H](O)[C@]2(C)CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O

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found in taxon

Bergia capensis

1 reference

stated in

Antiplasmodial triterpenoids from Ekebergia capensis.

Ekebergia capensis

1 reference

stated in

Antiplasmodial triterpenoids from Ekebergia capensis.

Identifiers

InChI

InChI=1S/C28H36O7/c1-25(2)19(12-20(29)33-6)28(5)17-7-9-26(3)18(16(17)13-27(4,23(25)31)24(28)32)11-21(30)35-22(26)15-8-10-34-14-15/h8,10,14,17,19,22-23,31H,7,9,11-13H2,1-6H3/t17-,19-,22-,23-,26+,27-,28+/m0/s1

0 references

InChIKey

WCVBRPGPJFNAQE-RADOLVQMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WCVBRPGPJFNAQE-RADOLVQMSA-N

1 reference

(Q105302115)

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

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Identifiers

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