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Substance Name: Meliatoxin A2
RN: 87617-82-1
InChIKey: RYOHUDAYJZTZOF-UHFFFAOYSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C34-H44-O12

Molecular Weight

  • 644.71
 
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Names and Synonyms

Results Name

  • Meliatoxin A2

Synonym

  • Meliatoxin A2

Systematic Name

  • 24-Norchola-20,22-diene-4-carboxaldehyde, 2,3-bis(acetyloxy)-14,15:21,23-diepoxy-4,8-dimethyl-11-oxo-1,7,19-trihydroxy-, cyclic 4,19-(2-methyl-1-oxopropylacetal), (1-alpha,2-alpha,3-alpha,4-beta(S),5-alpha,7-alpha,13-alpha,14-beta,15-beta,17-alpha)-

Registry Numbers

CAS Registry Number

  • 87617-82-1

System Generated Number

  • 0087617821

Structure Descriptors

InChI

1S/C34H44O12/c1-15(2)28(40)45-29-31(6)21-11-22(38)32(7)25(33(21,14-42-29)26(39)24(43-16(3)35)27(31)44-17(4)36)20(37)12-30(5)19(18-8-9-41-13-18)10-23-34(30,32)46-23/h8-9,13,15,19,21-27,29,38-39H,10-12,14H2,1-7H3

InChIKey

RYOHUDAYJZTZOF-UHFFFAOYSA-N

Smiles

O(C(C)=O)[C@@H]1[C@@H]([C@@H]([C@@]23CO[C@@H](OC(=O)C(C)C)[C@@]1([C@@H]3C[C@@H](O)[C@@]1([C@@]34[C@@H](C[C@@H]([C@@]3(CC([C@@H]21)=O)C)c1ccoc1)O4)C)C)O)OC(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.