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51257-84-2

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Basic Information
CAS No.: 51257-84-2
Name: A-130A
Molecular Structure:
Molecular Structure of 51257-84-2 (A-130A)
Formula: C47H78 O13
Molecular Weight: 851.25
Synonyms: Dianemycin,10-demethyl-19-de[(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy]-12-methyl-11-O-(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)-,[11(2R,5S,6R),12R]-; 1,6-Dioxaspiro[4.5]decane, dianemycin deriv.; 6-Nonenoicacid,8-[2,4',10,10'-tetramethyl-2'-[tetrahydro-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2H-pyran-2-yl]-9-[(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy][2,7'-bi-1,6-dioxaspiro[4.5]dec]-7-yl]-2,4,6-trimethyl-5-oxo-,[2S-[2a[2'S*,4'R*,5'S*,7'S*[2R*,5S*,7R*(2R*,4S*,6E,8R*),9S*(2S*,5R*,6S*),10S*],10'S*],3b,5b,6b]]-; Antibiotic A 130A; Antibiotic Ro 21-6150; Lenoremycin; Ro 21-6150
Density: 1.18g/cm3
Boiling Point: 875.5°Cat760mmHg
Flash Point: 245.4°C
Safety: Poison by ingestion, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 168.67000
LogP: 7.17880
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Chemistry

IUPAC Name: (E,2S,4R,8S)-8-[(2S,5R,7S,9R,10R)-2-[(2R,4S,5R,7R,10R)-2-[(2S,3S,5R,6R)-6-Hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-9-[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-2,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid
Synonyms of Lenoremycin (CAS NO.51257-84-2) : (11(2R,5S,6R),12R)-10-Demethyl-19-de((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-12-methyl-11-O-(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)dianemycin ; Antibiotic A 130A ; Antibiotic Ro 21 6150 ; Dianemycin, 10-demethyl-19-de((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-12-methyl-11-O-(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)-, (11R(2R,5S,6R),12R) ; Lenoremycin
InChI:InChI=1/C47H78O13/c1-25(19-26(2)41(49)27(3)20-29(5)43(50)51)36-23-37(55-40-16-14-35(53-12)34(10)54-40)33(9)46(56-36)18-17-44(11,60-46)39-15-13-30(6)47(58-39)32(8)22-38(57-47)42-28(4)21-31(7)45(52,24-48)59-42/h19,25,27-40,42,48,52H,13-18,20-24H2,1-12H3,(H,50,51)/b26-19+/t25-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,38+,39+,40-,42-,44-,45-,46+,47+/m0/s1
CAS NO:51257-84-2
Molecular Formula:C47H78O13                                     
Molecular Weight :851.1144                                                       
Molecular Structure :
Index of Refraction: 1.542  
Surface Tension: 49.2 dyne/cm 
Density: 1.18 g/cm3 
Flash Point: 245.4 °C 
Enthalpy of Vaporization: 144.56 kJ/mol 
Boiling Point: 875.5 °C at 760 mmHg 
Vapour Pressure: 0 mmHg at 25°C 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2520ug/kg (2.52mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 5, Pg. 500, 1981.
mouse LD50 oral 55mg/kg (55mg/kg)   "Kirk-Othmer Encyclopedia of Chemical Technology," 3rd ed., Grayson, M., and D. Eckroth, eds. New York, John Wiley & Sons, Inc., 1978Vol. 3, Pg. 47, 1978.
mouse LD50 subcutaneous 34300ug/kg (34.3mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 5, Pg. 500, 1981.

Safety Profile

Poison by ingestion, subcutaneous, and intraperitoneal routes. When Lenoremycin (CAS NO.51257-84-2) is heated to decomposition, it emits acrid smoke and irritating fumes.