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calcium 7-[(2S,3R,4S,5R)-4-carbamoyloxy-5-methoxy-6,6-dimethyl-3-oxido-tetrahydropyran-2-yl]oxy-3-[(4-hydroxy-3-isopentyl-benzoyl)amino]-8-methyl-4-oxo-chromen-2-olate (4863-55-2;63949-99-5)

Identification
Name:calcium 7-[(2S,3R,4S,5R)-4-carbamoyloxy-5-methoxy-6,6-dimethyl-3-oxido-tetrahydropyran-2-yl]oxy-3-[(4-hydroxy-3-isopentyl-benzoyl)amino]-8-methyl-4-oxo-chromen-2-olate
Synonyms:Novobiocin, dihydro-, calcium salt;Dihydronovobiocin, acid calcium salt;U-7700;Dihydronovobiocin calcium salt;AC1L3H35;Novobiocin, dihydro-, ca deriv.;AR-1I1538;LS-97548;Novobiocin, dihydro-, calcium salt (2:1);U 7700;4863-55-2;calcium 7-[(2s,3r,4s,5r)-4-carbamoyloxy-5-methoxy-6,6-dimethyl-3-oxido-tetrahydropyran-2-yl]oxy-3-[(4-hydroxy-3-isopentyl-benzoyl)amino]-8-methyl-4-oxo-chromen-2-olate;calcium 7-[(2S,3R,4S,5R)-4-carbamoyloxy-5-methoxy-6,6-dimethyl-3-oxidooxan-2-yl]oxy-3-[[4-hydroxy-3-(3-methylbutyl)benzoyl]amino]-8-methyl-4-oxochromen-2-olate
CAS:4863-55-2;63949-99-5
Molecular Formula: C62H72CaN4O22
Molecular Weight: 1265.3278
InChI: InChI=1/2C31H37N2O11.Ca/c2*1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h2*9-14,23,25-26,29,34,38H,7-8H2,1-6H3,(H2,32,39)(H,33,37);/q2*-1;+2/p-2/t2*23-,25+,26-,29+;/m11./s1
Molecular Structure: (C62H72CaN4O22) Novobiocin, dihydro-, calcium salt;Dihydronovobiocin, acid calcium salt;U-7700;Dihydronovobiocin cal...
Properties
Flash Point: 461.4°C
Boiling Point: 839.3°C at 760 mmHg
Flash Point: 461.4°C
Safety Data
 

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