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Substance Name: Rubratoxin B, triacetate
RN: 27646-47-5
InChIKey: RLPCKDQGNOVADL-XZJZCARSSA-N

Molecular Formula

  • C32-H36-O14

Molecular Weight

  • 644.622
 
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Names and Synonyms

Synonym

  • BRN 1614884

Systematic Name

  • Rubratoxin B, triacetate

Registry Numbers

CAS Registry Number

  • 27646-47-5

System Generated Number

  • 0027646475

Structure Descriptors

InChI

1S/C32H36O14/c1-5-6-7-8-10-21(41-15(2)33)26-24-19(29(37)45-31(24)39)13-18(27(42-16(3)34)22-11-9-12-23(36)44-22)14-20-25(28(26)43-17(4)35)32(40)46-30(20)38/h9,12,18,21-22,26-28H,5-8,10-11,13-14H2,1-4H3/t18?,21-,22?,26?,27+,28+/m1/s1

InChIKey

RLPCKDQGNOVADL-XZJZCARSSA-N

Smiles

O=C(O[C@@H]([C@@H]1C=2C(=O)OC(C2C[C@@H]([C@@H]([C@@H]2OC(C=CC2)=O)OC(=O)C)CC2=C([C@@H]1OC(C)=O)C(=O)OC2=O)=O)CCCCCC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Biochemical Pharmacology. Vol. 19, Pg. 612, 1970.