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Substance Name: Neogitostin
RN: 102280-59-1
InChIKey: BIIZUOKOXXHOLZ-ZKWAHBOSSA-N

Molecular Weight

  • 874.9644
 
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Names and Synonyms

  • Neogitostin

Registry Numbers

CAS Registry Number

  • 102280-59-1

System Generated Number

  • 0102280591

Structure Descriptors

InChI

1S/C42H66O19/c1-17-35(61-38-33(51)31(49)29(47)25(60-38)16-56-37-32(50)30(48)28(46)24(14-43)59-37)36(54-4)34(52)39(57-17)58-20-7-9-40(2)19(12-20)5-6-22-21(40)8-10-41(3)27(18-11-26(45)55-15-18)23(44)13-42(22,41)53/h11,17,19-25,27-39,43-44,46-53H,5-10,12-16H2,1-4H3/t17-,19-,20+,21+,22-,23+,24-,25-,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39+,40+,41-,42+/m1/s1

InChIKey

BIIZUOKOXXHOLZ-ZKWAHBOSSA-N

Smiles

CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H]([C@@H](O)C[C@]45O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 2818ug/kg (2.818mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 5, Pg. 988, 1962.