(Q105161065)

English

[(4Z,6E,8S,9S,10E,12S,13R,14S,16S,17R)-8,13,14,17-tetramethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

574.289030924 dalton

1 reference

1 reference

[(2R,3S,5S,6R,7S,8E,10S,11S,12E,14E)-2,5,6,11-tetramethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₂N₂O₉

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canonical SMILES

COC1C=CC=C(C)C(=O)NC2=CC(=O)C=C(C2=O)C(OC)C(C)CC(OC)C(OC)C(C)C=C(C)C1OC(N)=O

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isomeric SMILES

CO[C@H]1[C@@H](OC)C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@@H]1C)C2=O

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found in taxon

Streptomyces hygroscopicus

2 references

stated in

1H-nmr analysis of herbimycins and dihydro-herbimycins

stated in

The structure and cytocidal activity of herbimycin C

Identifiers

InChI

InChI=1S/C30H42N2O9/c1-16-10-9-11-23(37-5)28(41-30(31)36)18(3)12-17(2)27(40-8)24(38-6)13-19(4)26(39-7)21-14-20(33)15-22(25(21)34)32-29(16)35/h9-12,14-15,17,19,23-24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9+,16-10-,18-12+/t17-,19-,23-,24-,26+,27+,28-/m0/s1

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InChIKey

MCAHMSDENAOJFZ-TWYXGFFKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MCAHMSDENAOJFZ-TWYXGFFKSA-N

1 reference

(Q105161065)

[(4Z,6E,8S,9S,10E,12S,13R,14S,16S,17R)-8,13,14,17-tetramethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

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Identifiers

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