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Substance Name: MS 3
RN: 58265-74-0
InChIKey: WTZUCTQSBSDSRG-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C21-H24-O7

Molecular Weight

  • 388.414
 
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Names and Synonyms

Results Name

  • MS 3

Synonyms

  • BRN 2787821
  • MS-3

Systematic Name

  • beta-Resorcylic acid, 6-methyl-, 3,4-bis(hydroxymethyl)-5-hydroxy-6-(3-methyl-2-butenyl)phenyl ester

Registry Numbers

CAS Registry Number

  • 58265-74-0

Other Registry Number

  • 57827-79-9

System Generated Number

  • 0058265740

Structure Descriptors

InChI

1S/C21H24O7/c1-11(2)4-5-15-18(7-13(9-22)16(10-23)20(15)26)28-21(27)19-12(3)6-14(24)8-17(19)25/h4,6-8,22-26H,5,9-10H2,1-3H3

InChIKey

WTZUCTQSBSDSRG-UHFFFAOYSA-N

Smiles

c1(C(Oc2c(c(O)c(c(c2)CO)CO)C\C=C(\C)C)=O)c(cc(cc1C)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 6, Pg. 323, 1981.