33-[(3-AMINO-3,6-DIDEOXY-BETA-D-MANNOPYRANOSYL)OXY]-1,3,4,7,9,11,17,37-OCTAHYDROXY-15,16,18-TRIMETHYL-13-OXO-14,39-DIOXABICYCLO[33.3.1]NONATRIACONTA-19,21,25,27,29,31-HEXAENE-36-CARBOXYLIC ACID

CAS No.
1400-61-9
CCD No.
CCD00049354
Formula
C47 H75 N O17
MolWeight
926.099

Basic Information

Product Name: 33-[(3-AMINO-3,6-DIDEOXY-BETA-D-MANNOPYRANOSYL)OXY]-1,3,4,7,9,11,17,37-OCTAHYDROXY-15,16,18-TRIMETHYL-13-OXO-14,39-DIOXABICYCLO[33.3.1]NONATRIACONTA-19,21,25,27,29,31-HEXAENE-36-CARBOXYLIC ACID
CAS: 1400-61-9
English Synonyms: NYSTATIN ; NYSTATIN DIHYDRATE ; 33-[(3-AMINO-3,6-DIDEOXY-BETA-D-MANNOPYRANOSYL)OXY]-1,3,4,7,9,11,17,37-OCTAHYDROXY-15,16,18-TRIMETHYL-13-OXO-14,39-DIOXABICYCLO[33.3.1]NONATRIACONTA-19,21,25,27,29,31-HEXAENE-36-CARBOXYLIC ACID
MDL Number.: MFCD00077835
H bond acceptor: 18
H bond donor: 12
Smile: CC1/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O
InChi: InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30-,31?,32?,33?,34?,35?,36?,37?,38?,40?,41+,42?,43-,44+,46+,47?/m1/s1
InChiKey: InChIKey=VQOXZBDYSJBXMA-WRDWGCENSA-N