(Q104935547)

English

[(1R,2S,10R,12S,13R)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

alkaloid

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mass

566.226430668 dalton

1 reference

1 reference

C₃₀H₃₄N₂O₉

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canonical SMILES

O=C(OCC1C=2C(=O)C(OC)=C(C(=O)C2CC3N1C(O)C4N(C)C3C=5C(=O)C(OC)=C(C(=O)C5C4)C)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)OC[C@H]1C2=C(C[C@H]3[C@H]4C5=C(C[C@H]([C@H](O)N31)N4C)C(=O)C(C)=C(OC)C5=O)C(=O)C(C)=C(OC)C2=O

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found in taxon

Reniera

1 reference

stated in

Renieramycins E and F from the sponge Reniera sp.: reassignment of the stereochemistry of the renieramycins

Reniera

1 reference

stated in

Renieramycins E and F from the sponge Reniera sp.: reassignment of the stereochemistry of the renieramycins

Identifiers

InChI

InChI=1S/C30H34N2O9/c1-8-12(2)30(38)41-11-19-20-15(23(33)13(3)27(39-6)25(20)35)9-17-22-21-16(10-18(31(22)5)29(37)32(17)19)24(34)14(4)28(40-7)26(21)36/h8,17-19,22,29,37H,9-11H2,1-7H3/b12-8-/t17-,18+,19-,22-,29-/m0/s1

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InChIKey

BGHIUZDGPHSOIT-QRUTVPHISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BGHIUZDGPHSOIT-QRUTVPHISA-N

1 reference

(Q104935547)

[(1R,2S,10R,12S,13R)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (Z)-2-methylbut-2-enoate

Statements

Identifiers

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