Skip Navigation
ChemIDplus LiteBrowseAdvanced

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
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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

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

CC\C=C(/C)\[C@@H](O)[C@@H](C)[C@H](C[C@H]1C(=C[C@H]2C[C@@H](C)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CC=O)C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

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.