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Substance Name: Antibiotic GR135402
RN: 204199-15-5
InChIKey: YJGMLBISALRTRW-OOKLOIGGSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C34-H48-O9

Molecular Weight

  • 600.744
 
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Names and Synonyms

Results Name

  • Antibiotic GR135402

Name of Substance

  • GR135402

Synonyms

  • Antibiotic GR135402
  • GR 135402

Systematic Name

  • 1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 4,4a,5,6,7,7a,8,8a-octahydro-8a-(((6-deoxy-4-O-methyl-3-O-((2Z,4E)-2-methyl-1-oxo-2,4-hexadieny-l)beta-D-altropyranosyl)oxy)methyl)-4-formyl-7-methyl-3-(1-methylethyl)-, (1R,3aR,4S,4aR,7R,7aR,8aS)-

Registry Numbers

CAS Registry Number

  • 204199-15-5

System Generated Number

  • 0204199155

Structure Descriptors

InChI

1S/C34H48O9/c1-8-9-10-20(5)29(37)43-28-26(36)30(42-21(6)27(28)40-7)41-17-33-15-23-19(4)11-12-24(23)32(16-35)14-22(33)13-25(18(2)3)34(32,33)31(38)39/h8-10,13,16,18-19,21-24,26-28,30,36H,11-12,14-15,17H2,1-7H3,(H,38,39)/b9-8+,20-10-/t19-,21-,22-,23-,24-,26+,27-,28+,30-,32+,33+,34+/m1/s1

InChIKey

YJGMLBISALRTRW-OOKLOIGGSA-N

Smiles

C1[C@@H](C)[C@@H]2[C@@H](C1)[C@@]1(C=O)[C@@]3(C(=C[C@H]([C@@]3(CO[C@@H]3O[C@@H]([C@H]([C@H]([C@@H]3O)OC(\C(=C/C=C/C)C)=O)OC)C)C2)C1)C(C)C)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 100mg/kg (100mg/kg)   Journal of Antibiotics. Vol. 51, Pg. 41, 1998.