Mrv1652309122216472D 36 40 0 0 1 0 999 V2000 1.7372 -5.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9613 -5.1231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2784 -5.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2516 -6.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3729 -5.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0926 -4.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -4.3306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2383 -3.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0556 -3.7922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3665 -4.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -3.1408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2132 -3.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9106 -2.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -1.7404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3708 -0.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -1.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 -1.3047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7655 -1.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -2.5662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2049 -3.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.0807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0489 -2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -2.2259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.5163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5330 -3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 1 0 0 0 14 11 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 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 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 23 21 1 6 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 23 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 32 19 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 14 35 1 0 0 0 0 17 35 1 0 0 0 0 35 36 1 1 0 0 0 M END > NP0329922 > NP-MRD > C[C@H]1[C@H](C[C@@H](O)[C@](C)(O)[C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]23C)COC1=O > InChI=1S/C28H42O8/c1-14-15(13-36-24(14)33)9-23(32)27(4,34)22-6-8-28(35)17-10-19(29)18-11-20(30)21(31)12-25(18,2)16(17)5-7-26(22,28)3/h10,14-16,18,20-23,30-32,34-35H,5-9,11-13H2,1-4H3/t14-,15+,16-,18-,20-,21-,22-,23+,25+,26+,27+,28+/m0/s1 > KIUYPOUMVLICAJ-APNLOSGJSA-N > C28H42O8 > 506.636 > 506.287968312 > 7 > 78 > 54.5956204692672 > 1 > 5 > 0 > 0 > (3S,4S)-4-[(2R,3R)-2,3-dihydroxy-3-[(1R,2R,4S,5S,7R,11S,14S,15R)-4,5,11-trihydroxy-2,15-dimethyl-8-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-14-yl]butyl]-3-methyloxolan-2-one > 0.6094676409999987 > 0 > 5 > 0 > 13.741158163650699 > 13.25879898471102 > -3.153288443303487 > 144.52 > 131.63909999999998 > 4 > 0 > (3S,4S)-4-[(2R,3R)-2,3-dihydroxy-3-[(1R,2R,4S,5S,7R,11S,14S,15R)-4,5,11-trihydroxy-2,15-dimethyl-8-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-14-yl]butyl]-3-methyloxolan-2-one > 0 > NP0329922 > (3s,4s)-4-[(2r,3r)-3-[(1s,3as,5ar,7s,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-2,3-dihydroxybutyl]-3-methyloxolan-2-one $$$$