Mrv1533004161507102D 45 50 0 0 0 0 999 V2000 7.0405 4.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7602 3.5162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 2.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1041 3.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3844 3.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4481 2.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3557 1.6241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5435 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2632 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4511 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8269 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5754 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 0.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 -0.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 1.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5607 0.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4155 1.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3604 2.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0462 2.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -0.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2351 -0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0452 -1.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8377 -1.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6061 -2.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2889 -1.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0117 2.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1996 1.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6678 2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8557 2.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9481 3.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 19 28 1 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 25 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 34 39 1 0 0 0 0 16 40 1 0 0 0 0 11 40 1 0 0 0 0 9 41 1 0 0 0 0 3 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 M END > NP0170725 > NP-MRD > COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C(CC43O)OC(C)=O)C3=CC(=O)OC3)C2)C1OC(C)=O > InChI=1S/C34H50O11/c1-17-28(38)29(40-6)30(44-19(3)36)31(42-17)45-22-9-11-32(4)21(14-22)7-8-24-23(32)10-12-33(5)27(20-13-26(37)41-16-20)25(43-18(2)35)15-34(24,33)39/h13,17,21-25,27-31,38-39H,7-12,14-16H2,1-6H3 > QORPSFATKFHVRW-UHFFFAOYSA-N > C34H50O11 > 634.763 > 634.33531243 > 8 > 95 > 69.25723756897362 > 1 > 2 > 0 > 0 > 5-{[3-(acetyloxy)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-11-hydroxy-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-13-yl acetate > 2.64 > 2.4872474293333324 > -4.86 > 1 > 6 > -1 > 13.083419708610801 > 6.819477121525358 > -3.203886689169476 > 147.05 > 159.1133 > 8 > 0 > 8.72e-03 g/l > 5-{[3-(acetyloxy)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-11-hydroxy-2,15-dimethyl-14-(5-oxo-2H-furan-3-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-13-yl acetate > 0 > NP0170725 > 7-{[3-(acetyloxy)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthren-2-yl acetate $$$$