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Substance Name: Tetrocarcin E(1)
RN: 82925-71-1
InChIKey: AXDVMCQCQFROHR-ASYOKPIMSA-N

Note

  • From Micromonospora chalcea KY 11091.

Molecular Weight

  • 955.057
 
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Names and Synonyms

Name of Substance

  • Tetrocarcin E(1)

Systematic Name

  • Tetronolide, 9-O-(4-O-acetyl-2,6-dideoxy-alpha-L-ribo-hexopyranosyl)-17-O-(2,3,4,6-tetradeoxy-4-((methoxycarbonyl)amino)-3-C-methyl-3-nitro-beta-D-xylo-hexopyranosyl)-

Registry Numbers

CAS Registry Number

  • 82925-71-1

System Generated Number

  • 0082925711

Structure Descriptors

InChI

1S/C49H66N2O17/c1-22-11-14-35(66-37-20-47(8,51(60)61)42(27(6)64-37)50-46(59)62-10)23(2)16-32-33(54)17-29(21-52)19-49(32)44(57)38(45(58)68-49)43(56)48(9)31(22)13-12-30-39(48)24(3)15-25(4)40(30)67-36-18-34(55)41(26(5)63-36)65-28(7)53/h11-13,16-17,21,24-27,30-37,39-42,54-55,57H,14-15,18-20H2,1-10H3,(H,50,59)/b22-11-,23-16-/t24-,25-,26-,27+,30-,31-,32+,33-,34+,35-,36-,37-,39+,40?,41-,42-,47-,48+,49?/m0/s1

InChIKey

AXDVMCQCQFROHR-ASYOKPIMSA-N

Smiles

O[C@H]1[C@H]([C@@H](O[C@H](O[C@@H]2[C@H]3C=C[C@H]4C(=CC[C@@H](C(=C[C@@H]5[C@H](C=C(C=O)C[C@@]65OC(C(=C6O)C(=O)[C@@]4([C@@H]3[C@@H](C)C[C@@H]2C)C)=O)O)C)O[C@@H]2O[C@H](C)[C@@H]([C@@](C2)(C)[N+]([O-])=O)NC(OC)=O)C)C1)C)OC(C)=O