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Substance Name: Aldecalmycin
RN: 139953-58-5
InChIKey: BKXWBAOGONGQJL-LFYCWKIZSA-N

Note

  • From Streptomyces.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C33-H54-O9

Molecular Weight

  • 594.781
 
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Names and Synonyms

Name of Substance

  • Aldecalmycin

Synonym

  • Aldecalmycin

Systematic Name

  • 1-Naphthalenepropanal, 1,2,4a,5,6,7,8,8a-octahydro-2-(2-(hexopyranosyloxy)-4-hydroxy-3,5-dimethyl-5-octenyl)-beta-oxo-1,3,6,8-tetramethyl-

Registry Numbers

CAS Registry Number

  • 139953-58-5

System Generated Number

  • 0139953585

Structure Descriptors

InChI

1S/C33H54O9/c1-8-9-18(3)28(37)21(6)24(41-32-31(40)30(39)29(38)25(16-35)42-32)15-23-19(4)14-22-13-17(2)12-20(5)27(22)33(23,7)26(36)10-11-34/h9,11,14,17,20-25,27-32,35,37-40H,8,10,12-13,15-16H2,1-7H3/b18-9+/t17-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30-,31+,32+,33+/m0/s1

InChIKey

BKXWBAOGONGQJL-LFYCWKIZSA-N

Smiles

C=1([C@@H]([C@@]([C@H]2[C@@H](C[C@@H](C[C@H]2C1)C)C)(C(CC=O)=O)C)C[C@@H]([C@@H]([C@@H](\C(=C\CC)C)O)C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   Journal of Antibiotics. Vol. 45, Pg. 136, 1992.