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Substance Name: Gitoxin, 3''-acetate
RN: 20231-86-1
InChIKey: JFJBXUKRGBWKFR-LBACTLGPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C43-H66-O15

Molecular Weight

  • 822.979
 
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Names and Synonyms

Synonym

  • Acetylgitoxin-beta

Systematic Name

  • Gitoxin, 3''-acetate

Registry Numbers

CAS Registry Number

  • 20231-86-1

System Generated Number

  • 0020231861

Structure Descriptors

InChI

1S/C43H66O15/c1-20-38(48)29(45)15-34(52-20)58-40-22(3)54-35(17-32(40)57-36-16-31(55-23(4)44)39(49)21(2)53-36)56-26-9-11-41(5)25(14-26)7-8-28-27(41)10-12-42(6)37(24-13-33(47)51-19-24)30(46)18-43(28,42)50/h13,20-22,25-32,34-40,45-46,48-50H,7-12,14-19H2,1-6H3/t20-,21-,22-,25-,26+,27+,28-,29+,30+,31+,32+,34-,35-,36-,37+,38-,39-,40-,41+,42-,43?/m1/s1

InChIKey

JFJBXUKRGBWKFR-LBACTLGPSA-N

Smiles

C1[C@@H](C[C@H]2CC[C@H]3[C@@]4(C[C@@H]([C@@H](C=5COC(=O)C5)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O)O)O[C@@H]1C[C@H](O[C@@H]2C[C@H](OC(=O)C)[C@H](O)[C@H](O2)C)[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](O2)C)[C@H](O1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 40mg/kg (40mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 159, Pg. 1, 1966.