VALRUBICIN ,56124-62-0 _Chemical Cloud Database

VALRUBICIN

Basic Information
Product Name：	VALRUBICIN
CAS：	56124-62-0
English Synonyms：	VALRUBICIN ; 2-OXO-2-[(2S,4S)-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-4-([2,3,6-TRIDEOX ; N-TRIFLUOROACETYLADRIAMYCIN-14-VALERATE ; ANTIBIOTIC AD 32
MDL Number.：	MFCD01939322
H bond acceptor：	14
H bond donor：	5
Smile：	CCCCC(=O)OCC(=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)OC)O)[C@H](C1)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)C(F)(F)F)O
InChi：	InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1
InChiKey：	InChIKey=ZOCKGBMQLCSHFP-KQRAQHLDSA-N
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