Mrv1652309112215342D 39 43 0 0 1 0 999 V2000 0.1412 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9533 0.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4852 0.8721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 -0.5346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -0.6798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3261 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1382 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 -0.9702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9503 -1.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3897 -0.1943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9215 0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 0.2912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2655 0.9219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 -0.4847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5458 0.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 -0.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4774 -0.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1602 -0.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9309 -1.3791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4373 -2.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2618 -2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5421 -2.7795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3346 -3.0088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5323 -3.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9295 -2.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5243 -1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5011 -3.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3578 -1.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8908 -3.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 -2.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4320 -3.1032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 -1.4059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4662 -2.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 -2.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -1.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -1.1154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5776 -0.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6944 0.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 0.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 1 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 6 0 0 0 8 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 6 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 22 29 1 0 0 0 0 29 30 1 0 0 0 0 20 30 1 0 0 0 0 30 31 2 0 0 0 0 19 32 1 0 0 0 0 16 32 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 36 35 1 6 0 0 0 8 36 1 0 0 0 0 14 36 1 0 0 0 0 10 37 1 0 0 0 0 5 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M END > NP0315106 > NP-MRD > CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@@]2(C)[C@@H](CC=C32)C2=C[C@@H](OC2=O)[C@H](O)C(C)(C)O)C1(C)C > InChI=1S/C32H48O7/c1-17(33)38-25-12-14-31(7)22-11-13-30(6)19(18-15-20(39-27(18)36)26(35)29(4,5)37)9-10-21(30)32(22,8)24(34)16-23(31)28(25,2)3/h10,15,19-20,22-26,34-35,37H,9,11-14,16H2,1-8H3/t19-,20+,22+,23-,24+,25+,26-,30-,31+,32-/m0/s1 > MRUPANGYJNMZAA-RWOPCMBQSA-N > C32H48O7 > 544.729 > 544.340003886 > 5 > 87 > 61.778307412470966 > 1 > 3 > 0 > 0 > (1R,2S,5R,7R,9R,10R,14R,15S)-14-[(5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-oxo-2,5-dihydrofuran-3-yl]-9-hydroxy-2,6,6,10,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-11-en-5-yl acetate > 3.585127306999998 > 0 > 5 > 0 > 12.690473110474176 > 11.508701285903634 > -0.3519080790073549 > 113.29000000000002 > 148.10840000000002 > 5 > 0 > (1R,2S,5R,7R,9R,10R,14R,15S)-14-[(5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-oxo-5H-furan-3-yl]-9-hydroxy-2,6,6,10,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-11-en-5-yl acetate > 0 > NP0315106 > (1r,3br,4r,5ar,7r,9as,9br,11as)-1-[(5r)-5-[(1s)-1,2-dihydroxy-2-methylpropyl]-2-oxo-5h-furan-3-yl]-4-hydroxy-3b,6,6,9a,11a-pentamethyl-1h,2h,4h,5h,5ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate $$$$