Mrv1572004221604022D 64 66 0 0 1 0 999 V2000 10.6920 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2305 -0.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1954 6.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2504 3.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7317 5.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 4.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4413 7.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6959 5.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5764 7.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8092 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4707 1.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1709 6.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3498 6.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6935 1.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9820 1.8577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2201 0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8020 6.2319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4255 3.4422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0148 5.0394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4197 3.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8618 7.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 1.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6265 2.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0115 6.5249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8865 2.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1929 2.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 3.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3079 2.6206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3257 4.2674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4542 2.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2666 1.6361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5009 5.7123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1158 4.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4563 4.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3926 0.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1122 5.1792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5942 0.6324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0635 7.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 3.0399 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.1024 2.3982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1248 4.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7549 2.4398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5847 1.1717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2670 4.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2211 -0.4303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1869 7.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6641 5.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0804 6.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2727 5.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9956 3.5004 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.2154 -0.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0482 0.6164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2533 -0.4002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0981 7.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9894 7.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2721 2.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4085 5.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6005 3.4512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2979 4.6312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8360 5.7188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5135 2.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5267 4.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9213 5.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 14 13 2 0 0 0 0 16 1 1 6 0 0 0 16 11 1 0 0 0 0 17 2 1 0 0 0 0 17 12 2 0 0 0 0 18 3 1 6 0 0 0 19 4 1 1 0 0 0 20 5 1 1 0 0 0 21 6 1 0 0 0 0 22 7 1 0 0 0 0 23 15 2 0 0 0 0 24 15 1 0 0 0 0 25 13 1 0 0 0 0 25 18 1 0 0 0 0 26 24 2 0 0 0 0 27 26 1 0 0 0 0 28 26 1 0 0 0 0 29 16 1 0 0 0 0 29 19 1 0 0 0 0 30 19 1 0 0 0 0 30 20 1 0 0 0 0 31 21 2 0 0 0 0 31 27 1 0 0 0 0 32 23 1 0 0 0 0 32 27 2 0 0 0 0 33 18 1 0 0 0 0 33 20 1 0 0 0 0 34 21 1 0 0 0 0 34 28 2 0 0 0 0 35 28 1 0 0 0 0 36 17 1 0 0 0 0 37 8 1 1 0 0 0 37 35 1 0 0 0 0 38 23 1 4 0 0 0 38 36 2 0 0 0 0 39 22 2 0 0 0 0 40 24 1 0 0 0 0 29 41 1 6 0 0 0 30 42 1 1 0 0 0 43 31 1 0 0 0 0 44 32 1 0 0 0 0 45 35 2 0 0 0 0 46 36 1 0 0 0 0 47 9 1 0 0 0 0 25 47 1 1 0 0 0 48 14 1 0 0 0 0 48 37 1 0 0 0 0 49 22 1 0 0 0 0 33 49 1 6 0 0 0 50 34 1 0 0 0 0 50 37 1 0 0 0 0 52 10 1 0 0 0 0 53 11 1 0 0 0 0 54 12 1 0 0 0 0 55 13 1 0 0 0 0 56 14 1 0 0 0 0 16 57 1 6 0 0 0 18 58 1 6 0 0 0 19 59 1 1 0 0 0 20 60 1 1 0 0 0 25 61 1 1 0 0 0 29 62 1 6 0 0 0 30 63 1 1 0 0 0 33 64 1 6 0 0 0 M CHG 2 40 -1 51 1 M END > CHEM017531 > chemdb > [Na+].[H]\C1=C([H])\[C@]([H])(OC)[C@@]([H])(C)[C@@]([H])(OC(C)=O)[C@]([H])(C)[C@]([H])(O)[C@]([H])(C)[C@@]([H])(O)[C@@]([H])(C)\C([H])=C(\[H])/C(/[H])=C(C)\C(O)=NC2=CC([O-])=C3C4=C(O[C@](C)(O1)C4=O)C(C)=C(O)C3=C2O > InChI=1S/C37H47NO12.Na/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41;/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46);/q;+1/p-1/b11-10-,14-13-,17-12-;/t16-,18+,19+,20+,25-,29-,30+,33+,37-;/m0./s1 > YVOFSHPIJOYKSH-DITFEXNXSA-M > C37H46NNaO12 > 719.76 > 719.29177021 > 12 > 97 > 71.83354625943608 > 0 > 5 > 0 > 0 > sodium (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-(acetyloxy)-2,15,17,23,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-27-olate > 4.42 > 4.439338005371386 > -4.62 > 0 > 4 > -1 > 7.160333961620205 > -0.9030898782130556 > 15.28093101729802 > 207.62999999999994 > 199.10360000000009 > 3 > 0 > 1.74e-02 g/l > sodium (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-(acetyloxy)-2,15,17,23,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6-oxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1(29),2,4,9,19,21,23,25,27-nonaen-27-olate > 0 > Rifamycin SV sodium salt > 14897-39-3 $$$$