Mrv0541 05061304442D 63 71 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 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 3.8594 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0971 -8.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9688 -5.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8754 -4.1013 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 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 6.1505 -1.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5504 -7.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7924 -5.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3287 -3.4120 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 15.3740 -7.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1626 -6.2651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8274 -7.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9862 -6.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6056 -2.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4571 -6.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2354 -2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1523 -3.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4396 -5.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4118 -1.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6335 -6.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0693 -4.8865 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 4.6734 -0.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4674 -9.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5154 -6.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0518 -4.0534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7443 -8.6206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7093 -6.9544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6510 -7.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3565 -7.0502 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 15.9104 -5.7675 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 12.0415 -1.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1801 -7.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2457 -4.8385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9584 -2.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5226 -4.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2632 -5.6717 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 6 5 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 19 1 1 0 0 0 0 19 7 1 0 0 0 0 19 15 1 0 0 0 0 20 2 1 0 0 0 0 21 5 1 0 0 0 0 21 13 1 0 0 0 0 22 8 1 0 0 0 0 22 13 1 0 0 0 0 23 6 1 0 0 0 0 24 9 1 0 0 0 0 24 23 1 0 0 0 0 25 14 1 0 0 0 0 25 23 1 0 0 0 0 26 14 1 0 0 0 0 27 16 1 0 0 0 0 28 17 1 0 0 0 0 29 18 1 0 0 0 0 30 20 1 0 0 0 0 30 26 1 0 0 0 0 31 27 1 0 0 0 0 32 28 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 36 33 1 0 0 0 0 37 35 1 0 0 0 0 38 29 1 0 0 0 0 38 35 1 0 0 0 0 39 34 1 0 0 0 0 40 37 1 0 0 0 0 41 36 1 0 0 0 0 42 39 1 0 0 0 0 43 3 1 0 0 0 0 43 10 1 0 0 0 0 43 21 1 0 0 0 0 43 24 1 0 0 0 0 44 4 1 0 0 0 0 44 11 1 0 0 0 0 44 25 1 0 0 0 0 44 30 1 0 0 0 0 45 12 1 0 0 0 0 45 20 1 0 0 0 0 46 15 1 0 0 0 0 46 45 1 0 0 0 0 47 16 1 0 0 0 0 48 17 1 0 0 0 0 49 18 1 0 0 0 0 50 31 1 0 0 0 0 51 32 1 0 0 0 0 52 33 1 0 0 0 0 53 34 1 0 0 0 0 54 35 1 0 0 0 0 55 36 1 0 0 0 0 56 37 1 0 0 0 0 57 22 1 0 0 0 0 57 40 1 0 0 0 0 58 27 1 0 0 0 0 58 41 1 0 0 0 0 59 28 1 0 0 0 0 59 42 1 0 0 0 0 60 29 1 0 0 0 0 60 40 1 0 0 0 0 61 38 1 0 0 0 0 61 42 1 0 0 0 0 62 39 1 0 0 0 0 62 41 1 0 0 0 0 63 26 1 0 0 0 0 63 45 1 0 0 0 0 M END > CHEM023073 > chemdb > CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CN1 > InChI=1S/C45H75NO17/c1-19-7-12-45(46-15-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(56)35(54)38(29(18-49)60-40)61-42-39(34(53)32(51)28(17-48)59-42)62-41-36(55)33(52)31(50)27(16-47)58-41/h19-42,46-56H,5-18H2,1-4H3 > DMUPZSDWJVULSC-UHFFFAOYSA-N > C45H75NO17 > 902.0735 > 901.503499979 > 18 > 98.36117883552464 > 0 > 11 > 0 > 0 > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0.38 > -0.2970499083333288 > -3.21 > 1 > 9 > 1 > 12.353897401616734 > 11.874916536616936 > 9.539630194332574 > 278.93999999999994 > 218.33670000000006 > 9 > 0 > 5.53e-01 g/l > 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > beta1-Tomatidine > 17406-46-1 $$$$