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Substance Name: 3-Hydroxycezomycin
RN: 104414-30-4
InChIKey: WULUUVLPLGXOFP-GHLNLJSUSA-N

Note

  • From Dactylosporangium.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H34-N2-O7

Molecular Weight

  • 510.584
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxycezomycin

Synonyms

  • 1,7-Dioxaspiro(5.5)undecane, 4-benzoxazolecarboxylic acid deriv.
  • 3-Hydroxycezomycin
  • AC7230
  • Antibiotic AC 7230
  • Cezomycin-, 3-hydroxy-

Systematic Names

  • 4-Benzoxazolecarboxylic acid, 5-hydroxy-2-((3,9,11-trimethyl-8-(1-methyl-2-oxo-2-(1H-pyrrol-2-yl)ethyl)-1,7-dioxaspiro(5.5)undec-2-yl)methyl)-, (6S-(6alpha(2S*,3S*),8beta(R*),9beta,11alpha))-
  • 4-Benzoxazolecarboxylic acid, 5-hydroxy-2-((3,9,11-trimethyl-8-(1-methyl-2-oxo-2-2-yl)ethyl)-1,7-dioxaspiro(5.5)undec-2-yl)methyl)-, (6S-(6-alpha(2S*,3S*),8-beta(R*), beta(R*),9-bera,11-alpha))-

Registry Numbers

CAS Registry Number

  • 104414-30-4

Other Registry Number

  • 108266-12-2

System Generated Number

  • 0104414304

Structure Descriptors

InChI

1S/C28H34N2O7/c1-14-9-10-28(16(3)12-15(2)26(37-28)17(4)25(32)18-6-5-11-29-18)36-21(14)13-22-30-24-20(35-22)8-7-19(31)23(24)27(33)34/h5-8,11,14-17,21,26,29,31H,9-10,12-13H2,1-4H3,(H,33,34)/t14-,15-,16-,17-,21-,26+,28?/m1/s1

InChIKey

WULUUVLPLGXOFP-GHLNLJSUSA-N

Smiles

o1c(nc2c1ccc(c2C(=O)O)O)C[C@H]1O[C@@]2(CC[C@H]1C)O[C@@H]([C@@H](C[C@H]2C)C)[C@@H](C(c1[nH]ccc1)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Antibiotics. Vol. 40, Pg. 239, 1987.