Mrv0541 05061307452D 62 70 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 18.4642 -4.4848 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 14.2632 -5.6717 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 18.0940 -3.7476 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 14.7165 -4.9824 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 18.5473 -3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5401 -5.0303 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 18.1770 -2.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9934 -4.3410 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 13.2354 -2.0334 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 15.6231 -3.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9001 -2.9624 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 14.7995 -3.5558 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 13.4396 -5.6237 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 19.3709 -3.1062 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 13.5226 -4.1972 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 16.8170 -4.3889 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 13.6887 -1.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2704 -3.6997 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 11.9584 -2.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3462 -4.2451 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 16.0765 -2.9145 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 19 1 1 0 0 0 0 19 8 1 0 0 0 0 19 16 1 0 0 0 0 20 2 1 0 0 0 0 21 3 1 0 0 0 0 22 6 2 0 0 0 0 22 14 1 0 0 0 0 23 9 1 0 0 0 0 23 14 1 0 0 0 0 24 7 1 0 0 0 0 25 10 1 0 0 0 0 25 24 1 0 0 0 0 26 15 1 0 0 0 0 26 24 1 0 0 0 0 27 15 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 27 1 0 0 0 0 31 21 1 0 0 0 0 32 28 1 0 0 0 0 33 29 1 0 0 0 0 34 31 1 0 0 0 0 35 32 1 0 0 0 0 36 34 1 0 0 0 0 38 33 1 0 0 0 0 38 37 1 0 0 0 0 39 35 1 0 0 0 0 40 36 1 0 0 0 0 41 37 1 0 0 0 0 42 39 1 0 0 0 0 43 4 1 0 0 0 0 43 11 1 0 0 0 0 43 22 1 0 0 0 0 43 25 1 0 0 0 0 44 5 1 0 0 0 0 44 12 1 0 0 0 0 44 26 1 0 0 0 0 44 30 1 0 0 0 0 45 13 1 0 0 0 0 45 20 1 0 0 0 0 46 16 1 0 0 0 0 46 45 1 0 0 0 0 47 17 1 0 0 0 0 48 18 1 0 0 0 0 49 31 1 0 0 0 0 50 32 1 0 0 0 0 51 33 1 0 0 0 0 52 34 1 0 0 0 0 53 35 1 0 0 0 0 54 36 1 0 0 0 0 55 37 1 0 0 0 0 56 21 1 0 0 0 0 56 40 1 0 0 0 0 57 23 1 0 0 0 0 57 41 1 0 0 0 0 58 29 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 38 1 0 0 0 0 60 42 1 0 0 0 0 61 39 1 0 0 0 0 61 40 1 0 0 0 0 62 27 1 0 0 0 0 62 45 1 0 0 0 0 M END > CHEM028408 > chemdb > CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)OC11CCC(C)CN1 > InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-41-37(55)38(33(51)29(18-48)58-41)60-42-39(35(53)32(50)28(17-47)59-42)61-40-36(54)34(52)31(49)21(3)56-40/h6,19-21,23-42,46-55H,7-18H2,1-5H3 > RCTKRNCKOYYRIO-UHFFFAOYSA-N > C45H73NO16 > 884.0582 > 883.492935293 > 17 > 97.8204099214611 > 0 > 10 > 0 > 0 > 2-[(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol > 0.93 > 0.34428057700000136 > -3.37 > 1 > 9 > 1 > 12.343275014574559 > 11.880555886056309 > 9.539656360163168 > 258.7099999999999 > 217.64300000000006 > 8 > 0 > 3.80e-01 g/l > 2-[(2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol > 0 > alpha-Solamarine > 20318-30-3 $$$$