CAS Number
Molecular Formula
C88H95Cl2N9O33
Product format
Neat
Molecular Weight
1877.68
API Family
Synonyms
UNII-36DYU0VKRK; 91032-34-7
Iupac Name
(1S, 2R, 19R, 22S, 34S, 37R, 40R, 52S)-2-[(2R, 3R, 4R, 5S, 6R)-3-acetamido-4, 5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-amino-5, 15-dichloro-64-[(2S, 3R, 4R, 5S, 6R)-3-[[(Z)-dec-4-enoyl]amino]-4, 5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-26, 31, 44, 49-tetrahydroxy-21, 35, 38, 54, 56, 59-hexaoxo-47-[(2R, 3S, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7, 13, 28-trioxa-20, 36, 39, 53, 55, 58-hexazaundecacyclo[38.14.2.23, 6.214, 17.219, 34.18, 12.123, 27.129, 33.141, 45.010, 37.046, 51]hexahexaconta-3, 5, 8, 10, 12(64), 14, 16, 23(61), 24, 26, 29(60), 30, 32, 41(57), 42, 44, 46(51), 47, 49, 62 and 65-henicosaene-52-carboxylic acid
InChI
InChI=1S/C88H95Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h7-8,11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-6,9-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/b8-7-/t48-,57-,58-,59-,62+,63-,64+,65-,66+,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1
