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Substance Name: Mer WF3010
RN: 145078-62-2
InChIKey: ITBLPDDJTHGYAL-QBRWPTABSA-N

Note

  • Isolated from Phialophora cyclaminis.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C45-H60-O16

Molecular Weight

  • 856.953
 
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Names and Synonyms

Name of Substance

  • Mer WF3010

Synonym

  • MER-WF3010

Systematic Names

  • beta-D-Galactopyranoside, 3',4',5',6'-tetrahydro-3',5,7-trihydroxy-6'-(hydroxymethyl)-4'-((7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy)spiro(isobenzofuran-1(3H),2'-(2H)pyran)-5-yl, 6-(2,4,6-octatrienoate)
  • beta-D-Galactopyranoside, 3',4',5',6'-tetrahydro-6'-(hydroxymethyl)-4'-((7-hydroxy-8,14-dimethyl-1-oxo-2,4,8,10-hexadecatetraenyl)oxy)spiro(isobenzofuran-1(3H),2'-(2H)pyran)-5-yl-3',5,7-trihydroxy-, 6-(2,4,6-octatrienoate)

Registry Numbers

CAS Registry Number

  • 145078-62-2

System Generated Number

  • 0145078622

Structure Descriptors

InChI

1S/C45H60O16/c1-5-7-8-9-15-20-35(50)56-26-34-38(52)39(53)40(54)44(58-34)60-41-33(24-46)61-45(37-29(25-57-45)22-30(47)23-32(37)49)43(55)42(41)59-36(51)21-16-11-14-19-31(48)28(4)18-13-10-12-17-27(3)6-2/h5,7-11,13-16,18,20-23,27,31,33-34,38-44,46-49,52-55H,6,12,17,19,24-26H2,1-4H3/b7-5+,9-8+,13-10+,14-11+,20-15+,21-16+,28-18+

InChIKey

ITBLPDDJTHGYAL-QBRWPTABSA-N

Smiles

O1[C@@]2(c3c(cc(cc3CO2)O)O)[C@@H]([C@@H](OC(\C=C\C=C\C[C@@H](\C(=C\C=C\CC[C@@H](CC)C)C)O)=O)[C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)COC(=O)\C=C\C=C\C=C\C)O)O)O)[C@@H]1CO)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 46, Pg. 247, 1993.