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Substance Name: Meliatoxin B1
RN: 87617-81-0
InChIKey: PGTAYRVRANEPEM-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C35-H46-O12

Molecular Weight

  • 658.736
 
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Names and Synonyms

Results Name

  • Meliatoxin B1

Synonym

  • Meliatoxin B1

Systematic Name

  • 24-Norchola-20,22-diene-4-carboxaldehyde, 2,3-bis(acetyloxy)-4,8-dimethyl-11,15-dioxo-21,23-epoxy-1,7,19-trihydroxy-, cyclic 4,19-(2-methyl-1-oxobutylacetal), (1-alpha,2-alpha,3-alpha,4-beta(alpha-S),5-alpha,7-alpha,13-alpha,17-alpha)-

Registry Numbers

CAS Registry Number

  • 87617-81-0

System Generated Number

  • 0087617810

Structure Descriptors

InChI

1S/C35H46O12/c1-8-16(2)30(42)47-31-34(7)23-12-24(40)33(6)22-11-20(38)25(19-9-10-43-14-19)32(22,5)13-21(39)27(33)35(23,15-44-31)28(41)26(45-17(3)36)29(34)46-18(4)37/h9-10,14,16,22-29,31,40-41H,8,11-13,15H2,1-7H3

InChIKey

PGTAYRVRANEPEM-UHFFFAOYSA-N

Smiles

O([C@@H]1[C@@H]([C@@H]([C@@]23CO[C@@H](OC(=O)[C@@H](CC)C)[C@@]1([C@@H]3C[C@@H](O)[C@@]1([C@@H]3CC([C@@H]([C@@]3(CC([C@@H]21)=O)C)c1ccoc1)=O)C)C)O)OC(C)=O)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16mg/kg (16mg/kg)   Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 20, Pg. 247, 1985.
pig LD50 oral 6400ug/kg (6.4mg/kg) CARDIAC: OTHER CHANGES

BEHAVIORAL: COMA
Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 20, Pg. 247, 1985.