Mrv1572004221605292D 71 74 0 0 1 0 999 V2000 2.7584 -2.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0951 -0.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0695 -1.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 2.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0643 -1.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0231 2.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0839 -0.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4471 2.9646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4828 -2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3091 2.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5847 2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0132 1.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2376 -0.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9620 -0.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3108 0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3503 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7788 -1.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6293 -0.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8091 -0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0748 2.3270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5539 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9317 -1.3300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0747 -1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6462 -1.2242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1050 -0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8357 2.0082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3602 -1.3653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5335 -0.1811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5032 -1.2948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9824 0.6083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9928 1.1442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6358 -1.7601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2073 -1.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2783 1.0384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0925 0.3050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4182 1.8274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3806 -0.5406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5226 1.0090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8399 0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5643 1.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6969 0.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1358 1.2148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7068 1.0031 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2684 0.7495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6154 -2.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 -2.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 -0.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4213 1.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7710 1.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2987 1.8631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7298 0.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3427 2.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6765 -0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 0.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -2.0842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7887 -1.4006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0715 -0.8173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2422 1.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3399 -2.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8295 0.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5236 -0.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6865 0.1783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9725 0.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9113 -2.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0028 1.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3396 1.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2383 1.3278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0847 -0.9706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8394 0.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 0 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 15 14 1 0 0 0 0 16 12 1 0 0 0 0 24 2 1 0 0 0 0 24 17 1 0 0 0 0 24 18 2 0 0 0 0 25 3 1 6 0 0 0 25 17 1 0 0 0 0 25 19 1 0 0 0 0 26 4 1 0 0 0 0 26 20 2 0 0 0 0 27 5 1 6 0 0 0 27 21 1 0 0 0 0 28 6 1 6 0 0 0 29 14 1 0 0 0 0 29 20 1 1 0 0 0 29 22 1 0 0 0 0 30 10 1 1 0 0 0 30 18 1 0 0 0 0 31 15 1 0 0 0 0 32 13 1 0 0 0 0 33 23 1 0 0 0 0 33 28 1 0 0 0 0 34 23 1 0 0 0 0 34 30 1 0 0 0 0 35 22 1 0 0 0 0 35 31 1 0 0 0 0 36 19 1 0 0 0 0 37 21 1 0 0 0 0 38 26 1 6 0 0 0 38 28 1 0 0 0 0 39 36 1 0 0 0 0 39 37 1 0 0 0 0 41 40 1 0 0 0 0 42 32 1 0 0 0 0 43 27 1 0 0 0 0 43 40 1 0 0 0 0 31 44 1 6 0 0 0 45 16 1 0 0 0 0 45 32 1 0 0 0 0 45 41 1 0 0 0 0 33 46 1 1 0 0 0 47 34 2 0 0 0 0 48 40 2 0 0 0 0 49 41 2 0 0 0 0 50 42 2 0 0 0 0 43 51 1 1 0 0 0 52 7 1 0 0 0 0 35 52 1 1 0 0 0 53 8 1 0 0 0 0 36 53 1 6 0 0 0 54 9 1 0 0 0 0 37 54 1 1 0 0 0 55 38 1 0 0 0 0 55 42 1 0 0 0 0 56 39 1 0 0 0 0 56 43 1 0 0 0 0 57 18 1 0 0 0 0 58 20 1 0 0 0 0 25 59 1 1 0 0 0 27 60 1 6 0 0 0 28 61 1 1 0 0 0 29 62 1 6 0 0 0 30 63 1 1 0 0 0 31 64 1 1 0 0 0 32 65 1 6 0 0 0 33 66 1 6 0 0 0 35 67 1 6 0 0 0 36 68 1 1 0 0 0 37 69 1 6 0 0 0 38 70 1 1 0 0 0 39 71 1 1 0 0 0 M END > CHEM019166 > chemdb > [H]\C(=C(\C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@]([H])(C[C@@]2([H])C)OC)[C@]([H])(C[C@@]([H])(C)C\C(C)=C([H])\[C@@]([H])(CC)C(=O)C[C@]([H])(O)[C@@]1([H])C)OC)[C@]1([H])CC[C@@]([H])(Cl)[C@@]([H])(C1)OC > InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31+,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1 > KASDHRXLYQOAKZ-ZPSXYTITSA-N > C43H68ClNO11 > 810.46 > 809.4480897 > 10 > 124 > 88.77811016650851 > 0 > 2 > 0 > 0 > (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-12-[(1E)-1-[(1R,3R,4R)-4-chloro-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.0⁴,⁹]octacos-18-ene-2,3,10,16-tetrone > 4.36 > 6.808131370666668 > -5.73 > 1 > 4 > 0 > 14.66327647637415 > 9.955625146449202 > -2.9370881455248625 > 158.12999999999997 > 214.0262 > 6 > 0 > 1.52e-03 g/l > pimecrolimus > 0 > Pimecrolimus > 137071-32-0 $$$$