Mrv0541 05061305552D 82 92 0 0 0 0 999 V2000 2.5224 -0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4270 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2425 -0.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2004 -0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6545 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4876 -2.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6640 -2.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6277 -1.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8476 -0.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3768 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0240 -0.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5532 -0.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -1.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7645 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8834 -2.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7587 -4.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0181 -3.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8170 -4.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5778 0.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3365 -1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5514 -0.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7892 -0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9409 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2179 -1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2937 -1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7470 -1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4701 -1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4014 0.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1505 -1.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9351 -4.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6478 -2.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2704 -3.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2843 -1.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7717 0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4817 -5.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1011 -1.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0940 -3.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6581 -5.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7308 -1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7062 -2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2878 -4.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9072 -0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8826 -2.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1595 -1.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5473 -3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3184 -0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1770 -2.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5123 -1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7412 -3.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4539 -1.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4948 -0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3534 -2.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5707 -1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0998 -0.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9646 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1290 -5.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8417 -3.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1873 -5.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8548 1.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5953 0.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8520 -6.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9247 -1.8235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4642 -4.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2048 -5.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1842 -0.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0765 -2.9145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5934 -4.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5370 -0.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4293 -2.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1245 0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6734 -0.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9656 -0.7028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0415 -1.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5648 -3.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8242 -2.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9001 -2.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9831 -1.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3709 -3.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6887 -1.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6303 -1.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3349 -2.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 6 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 21 1 1 0 0 0 0 21 8 1 0 0 0 0 21 19 1 0 0 0 0 22 2 1 0 0 0 0 23 3 1 0 0 0 0 24 6 2 0 0 0 0 24 14 1 0 0 0 0 25 9 1 0 0 0 0 25 14 1 0 0 0 0 26 7 1 0 0 0 0 27 10 1 0 0 0 0 27 26 1 0 0 0 0 28 15 1 0 0 0 0 28 26 1 0 0 0 0 29 20 1 0 0 0 0 30 15 1 0 0 0 0 31 16 1 0 0 0 0 32 17 1 0 0 0 0 33 18 1 0 0 0 0 34 22 1 0 0 0 0 34 30 1 0 0 0 0 35 29 1 0 0 0 0 36 31 1 0 0 0 0 37 32 1 0 0 0 0 38 33 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 23 1 0 0 0 0 45 41 1 0 0 0 0 46 38 1 0 0 0 0 47 35 1 0 0 0 0 48 46 1 0 0 0 0 49 44 1 0 0 0 0 50 42 1 0 0 0 0 51 43 1 0 0 0 0 52 47 1 0 0 0 0 53 48 1 0 0 0 0 54 4 1 0 0 0 0 54 11 1 0 0 0 0 54 24 1 0 0 0 0 54 27 1 0 0 0 0 55 5 1 0 0 0 0 55 12 1 0 0 0 0 55 28 1 0 0 0 0 55 34 1 0 0 0 0 56 13 1 0 0 0 0 56 22 1 0 0 0 0 57 16 1 0 0 0 0 58 17 1 0 0 0 0 59 18 1 0 0 0 0 60 29 1 0 0 0 0 61 35 1 0 0 0 0 62 36 1 0 0 0 0 63 37 1 0 0 0 0 64 38 1 0 0 0 0 65 39 1 0 0 0 0 66 40 1 0 0 0 0 67 41 1 0 0 0 0 68 42 1 0 0 0 0 69 43 1 0 0 0 0 70 44 1 0 0 0 0 71 20 1 0 0 0 0 71 52 1 0 0 0 0 72 19 1 0 0 0 0 72 56 1 0 0 0 0 73 23 1 0 0 0 0 73 49 1 0 0 0 0 74 25 1 0 0 0 0 74 52 1 0 0 0 0 75 31 1 0 0 0 0 75 50 1 0 0 0 0 76 32 1 0 0 0 0 76 51 1 0 0 0 0 77 33 1 0 0 0 0 77 53 1 0 0 0 0 78 45 1 0 0 0 0 78 53 1 0 0 0 0 79 46 1 0 0 0 0 79 50 1 0 0 0 0 80 47 1 0 0 0 0 80 49 1 0 0 0 0 81 48 1 0 0 0 0 81 51 1 0 0 0 0 82 30 1 0 0 0 0 82 56 1 0 0 0 0 M END > CHEM025254 > chemdb > CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OCC(O)C(O)C2OC2OC(C)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1 > InChI=1S/C56H90O26/c1-21-8-13-56(72-19-21)22(2)34-30(82-56)15-28-26-7-6-24-14-25(9-11-54(24,4)27(26)10-12-55(28,34)5)74-52-47(35(61)29(60)20-71-52)80-49-44(70)41(67)45(23(3)73-49)78-53-48(81-51-43(69)40(66)37(63)32(17-58)76-51)46(38(64)33(18-59)77-53)79-50-42(68)39(65)36(62)31(16-57)75-50/h6,21-23,25-53,57-70H,7-20H2,1-5H3 > ZMXQNYSKYBAHKJ-UHFFFAOYSA-N > C56H90O26 > 1179.2982 > 1178.572033052 > 26 > 123.6127379929904 > 0 > 14 > 0 > 0 > 2-{[2-({6-[(4,5-dihydroxy-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxan-3-yl)oxy]-4,5-dihydroxy-2-methyloxan-3-yl}oxy)-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -0.10 > -2.2496278656666697 > -2.67 > 1 > 11 > 0 > 12.181304122926022 > 11.750720668564668 > -3.655542498462659 > 393.9800000000002 > 274.8262000000001 > 13 > 0 > 2.52e+00 g/l > 2-{[2-({6-[(4,5-dihydroxy-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}oxan-3-yl)oxy]-4,5-dihydroxy-2-methyloxan-3-yl}oxy)-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Ceposide D > 122018-50-2 $$$$