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Substance Name: Chaetiacandin
RN: 96989-32-1
InChIKey: XTPPYHVGAMJHPL-WAXQHDLUSA-N

Note

  • Anti-yeast antibiotic structurally related to papulacandin.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H60-O16

Molecular Weight

  • 832.931
 
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Names and Synonyms

Name of Substance

  • Chaetiacandin

Synonym

  • Chaetiacandin

Systematic Name

  • D-Glucitol, 1,5-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-4-O-(6-O-(1-oxo-2,4-decadienyl)-beta-D-galactopyranosyl)-, 3-(7-hydroxy-2,4,8,10-tetradecatetraenoate)

Registry Numbers

CAS Registry Number

  • 96989-32-1

System Generated Number

  • 0096989321

Structure Descriptors

InChI

1S/C43H60O16/c1-4-5-6-7-8-9-12-19-33(50)55-25-31(49)39-36(52)37(53)43(58-39)59-40-32(24-45)56-41(35-27(23-44)21-29(47)22-30(35)48)38(54)42(40)57-34(51)20-13-10-11-17-28(46)18-15-14-16-26(2)3/h8-16,18-22,26,28,31-32,36-49,52-54H,4-7,17,23-25H2,1-3H3/b9-8+,11-10+,16-14+,18-15+,19-12+,20-13+

InChIKey

XTPPYHVGAMJHPL-WAXQHDLUSA-N

Smiles

O1[C@@H](c2c(cc(cc2O)O)CO)[C@@H]([C@@H]([C@@H](O[C@@H]2[C@@H](O)[C@@H]([C@@H](O2)[C@@H](O)COC(\C=C\C=C\CCCCC)=O)O)[C@@H]1CO)OC(\C=C\C=C\C[C@@H](\C=C\C=C\C(C)C)O)=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 455, 1985.