KATACALCIN

Catalog No:   FT-0689006

CAS No:   85916-47-8

• Chemical Name:  KATACALCIN
• Molecular Formula:  C97H154N34O36S2
• Molecular Weight:  2436.6
• InChI Key:  BOARIOLZPFSAQJ-NQSKQZERSA-N
• InChI:  InChI=1S/C97H154N34O36S2/c1-43(2)29-55(119-83(154)60(36-72(143)144)123-86(157)62(39-132)127-87(158)63(40-133)126-79(150)52(21-27-168-7)113-75(146)48(98)32-70(139)140)81(152)115-51(18-20-69(137)138)77(148)114-49(13-9-23-108-96(102)103)76(147)122-59(35-71(141)142)84(155)120-56(30-46-37-106-41-110-46)82(153)117-53(14-10-24-109-97(104)105)93(163)130-25-12-16-65(130)89(160)124-57(31-47-38-107-42-111-47)85(156)128-73(44(3)4)90(161)129-92(167-6)91(162)118-54(22-28-169-8)94(164)131-26-11-15-64(131)88(159)116-50(17-19-66(99)134)78(149)121-58(33-67(100)135)80(151)112-45(5)74(145)125-61(95(165)166)34-68(101)136/h37-38,41-45,48-65,73,92,132-133H,9-36,39-40,98H2,1-8H3,(H2,99,134)(H2,100,135)(H2,101,136)(H,106,110)(H,107,111)(H,112,151)(H,113,146)(H,114,148)(H,115,152)(H,116,159)(H,117,153)(H,118,162)(H,119,154)(H,120,155)(H,121,149)(H,122,147)(H,123,157)(H,124,160)(H,125,145)(H,126,150)(H,127,158)(H,128,156)(H,129,161)(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H,165,166)(H4,102,103,108)(H4,104,105,109)/t45-,48-,49?,50-,51?,52?,53-,54-,55?,56?,57-,58-,59?,60-,61-,62-,63?,64-,65-,73-,92-/m0/s1