premithramycin B lactone
Chemical Formula:
C53H72O25
Molecular Weight:
1109.137 Daltons
Monoisotopic Mass:
1108.4362678636999 Daltons
SMILES:
CC9(C(OC2(CC(OC1(CC(O)C(O)C(C)O1))C(O)C(C)O2))=CC8(C(=C(O)C7(C(=O)C6(OC5(CC(OC4(CC(OC3(CC(O)(C)C(O)C(C)O3))C(O)C(C)O4))C(O)C(C)O5))(C(OC(C(=O)C)=C(O)C(OC)[CH]6CC=7C=8)=O)))C(O)=9))
InChI:
1S/C53H72O25/c1-18-29(73-34-14-30(42(58)21(4)69-34)74-33-13-28(55)41(57)20(3)68-33)12-26-10-25-11-27-48(67-9)46(62)47(19(2)54)77-51(65)53(27,50(64)39(25)45(61)38(26)40(18)56)78-36-16-32(44(60)23(6)71-36)75-35-15-31(43(59)22(5)70-35)76-37-17-52(8,66)49(63)24(7)72-37/h10,12,20-24,27-28,30-37,41-44,48-49,55-63,66H,11,13-17H2,1-9H3/t20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41-,42-,43+,44-,48+,49-,52+,53+/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14354
PubChem (CID):
90658235
Seed:
cpd24312
MetaNetX:
MNXM97602