Mrv1652309122217422D 35 38 0 0 1 0 999 V2000 -0.9747 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2602 -7.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -8.3405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -7.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -7.5155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -7.1030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5977 -6.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3121 -7.5155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3984 -8.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2053 -8.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5409 -9.2612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6178 -7.7930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1028 -8.4605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4248 -7.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6798 -6.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1277 -6.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3827 -5.4392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3207 -6.3953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7687 -5.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -7.1799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4527 -6.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4867 -6.6654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9347 -6.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -5.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5486 -5.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1007 -6.3223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9076 -6.1508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8457 -7.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6627 -7.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8745 -7.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0388 -7.2785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7838 -8.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9768 -8.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7219 -9.0192 0.0000 O 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 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 9 7 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 9 21 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 6 0 0 0 16 23 1 0 0 0 0 23 24 1 6 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 6 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 23 32 1 0 0 0 0 32 33 1 6 0 0 0 33 34 1 0 0 0 0 15 34 1 0 0 0 0 34 35 2 0 0 0 0 M END > NP0330393 > NP-MRD > COC(=O)CC[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O > InChI=1S/C28H40O7/c1-14(8-9-20(32)35-7)15-12-19(31)28(6)21-16(29)13-17-25(2,3)18(30)10-11-26(17,4)22(21)23(33)24(34)27(15,28)5/h14-15,17-18,24,30,34H,8-13H2,1-7H3/t14-,15-,17+,18+,24-,26+,27+,28+/m1/s1 > NGQBPTCJUKNWJC-JKTDPEJKSA-N > C28H40O7 > 488.621 > 488.277403628 > 6 > 75 > 53.8526138253595 > 1 > 2 > 0 > 0 > methyl (4R)-4-[(2S,5S,7R,11R,14R,15R,16S)-5,16-dihydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]pentanoate > 3.044739322333334 > 0 > 4 > 0 > 19.0482658153422 > 12.899422610532174 > -0.7785754159731756 > 117.97 > 129.7964 > 5 > 1 > methyl (4R)-4-[(2S,5S,7R,11R,14R,15R,16S)-5,16-dihydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]pentanoate > 0 > NP0330393 > methyl (4r)-4-[(1r,3ar,5ar,7s,9as,11s,11ar)-7,11-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,4,10-trioxo-1h,2h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]pentanoate $$$$