Mrv1652309092202432D 45 50 0 0 1 0 999 V2000 -1.2375 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -2.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -1.5395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4125 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1877 0.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2692 0.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6500 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0625 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1250 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7125 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -0.1105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7750 0.6039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6000 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8375 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -1.5395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1377 -1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2192 -2.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 -2.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3007 -3.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9327 -3.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5255 -3.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -1.5395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1250 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -1.5395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4750 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -1.5395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6500 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.8250 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 2 0 0 0 0 5 3 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 12 11 1 1 0 0 0 5 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 15 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 20 25 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 25 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 6 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 30 37 1 0 0 0 0 17 37 1 0 0 0 0 37 38 1 6 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 16 40 1 0 0 0 0 40 41 1 6 0 0 0 40 42 1 0 0 0 0 13 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 5 44 1 0 0 0 0 42 45 1 1 0 0 0 13 45 1 1 0 0 0 M END > NP0276540 > NP-MRD > COC(=O)[C@@]12CC[C@]34C[C@]3(C=C[C@@H]3[C@@]5(C)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@](C)(COC(C)=O)[C@@H]5CC[C@@]43C)[C@@H]1CC(C)(C)CC2 > InChI=1S/C37H54O8/c1-22(38)43-21-33(7)26-10-12-34(8)27(32(26,6)18-25(44-23(2)39)29(33)45-24(3)40)11-13-36-20-37(34,36)17-16-35(30(41)42-9)15-14-31(4,5)19-28(35)36/h11,13,25-29H,10,12,14-21H2,1-9H3/t25-,26-,27-,28-,29-,32+,33-,34-,35+,36-,37-/m1/s1 > LYRZUWJJCFKJRU-FNLQLWNHSA-N > C37H54O8 > 626.831 > 626.381868699 > 4 > 99 > 70.97149445502676 > 0 > 0 > 0 > 0 > methyl (1R,2R,5R,6S,7S,8R,10S,11R,14S,15S,20S)-7,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,6,10,17,17-pentamethylhexacyclo[12.8.1.0^{1,14}.0^{2,11}.0^{5,10}.0^{15,20}]tricos-12-ene-20-carboxylate > 5.1438393336666675 > 1 > 6 > 0 > -6.425446617495468 > 105.20000000000002 > 167.3228 > 9 > 0 > methyl (1R,2R,5R,6S,7S,8R,10S,11R,14S,15S,20S)-7,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,6,10,17,17-pentamethylhexacyclo[12.8.1.0^{1,14}.0^{2,11}.0^{5,10}.0^{15,20}]tricos-12-ene-20-carboxylate > 0 > NP0276540 > methyl (1r,2r,5r,6s,7s,8r,10s,11r,14s,15s,20s)-7,8-bis(acetyloxy)-6-[(acetyloxy)methyl]-2,6,10,17,17-pentamethylhexacyclo[12.8.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricos-12-ene-20-carboxylate $$$$