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Substance Name: Isolasalocid A
RN: 54156-67-1
InChIKey: XZJLJFYPIJKWCY-ANXQGEBNSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C34-H54-O8

Molecular Weight

  • 590.7926
 
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Names and Synonyms

Results Name

  • Isolasalocid A

Synonyms

  • 5-19-08-00287 (Beilstein Handbook Reference)
  • BRN 4218984
  • Isolasalocid A

Systematic Name

  • Benzoic acid, 6-(7-(2,5-diethyloctahydro-5'-(1-hydroxyethyl)-4-methyl(2,2'-bifuran)-5-yl)-4-hydroxy-3,5-dimethyl-6-oxononyl)-2-hydroxy-3-methyl-, (2S-(2-alpha(2'S*,5'R*(S*)),5-alpha,6-beta(3S*,4R*,5R*,7S*)))-

Registry Numbers

CAS Registry Number

  • 54156-67-1

System Generated Number

  • 0054156671

Structure Descriptors

InChI

1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(10-2,41-26)23(8)35)30(38)22(7)28(36)19(4)12-14-24-15-13-20(5)29(37)27(24)32(39)40/h13,15,19,21-23,25-26,28,31,35-37H,9-12,14,16-18H2,1-8H3,(H,39,40)/t19-,21+,22+,23-,25+,26-,28+,31+,33+,34+/m1/s1

InChIKey

XZJLJFYPIJKWCY-ANXQGEBNSA-N

Smiles

CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@](O2)(CC)[C@@H](C)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCc3ccc(c(c3C(=O)O)O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 3, Pg. 47, 1978.
mouse LD50 oral 1gm/kg (1000mg/kg)   "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 3, Pg. 47, 1978.