Mrv1652304282219062D 41 45 0 0 1 0 999 V2000 4.8390 0.3498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2623 1.0579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8607 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 1.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 1.0830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0141 0.3623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5908 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7659 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3643 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7876 1.0955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3860 1.8162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5611 1.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1378 1.1206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5394 0.4000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1161 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 -0.2956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1104 0.4250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3129 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 1.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2966 1.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9353 0.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1322 -1.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 -0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3804 -1.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3587 -0.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -0.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8093 2.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4157 -0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 0.8741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1403 0.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3816 -0.2717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1979 -1.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6880 1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4687 1.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5288 2.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7573 1.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4333 2.4766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9283 3.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7474 3.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 3.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 9 1 1 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 9 14 1 0 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 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 17 21 1 6 0 0 0 16 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 14 26 1 6 0 0 0 11 27 1 6 0 0 0 6 28 1 6 0 0 0 5 29 1 1 0 0 0 2 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 1 32 1 0 0 0 0 32 33 1 1 0 0 0 30 34 1 6 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 2 37 1 6 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 M END > NP0071763 > NP-MRD > CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(COC(C)=O)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@@H]4C(C)(C)[C@@H](O)[C@@H](C[C@]4(C)C3=CC[C@]21C)OC(C)=O > InChI=1S/C34H54O7/c1-18(2)22-14-24(38)28-33(9)11-10-21-27(32(33,8)12-13-34(22,28)17-40-19(3)35)23(37)15-26-30(5,6)29(39)25(41-20(4)36)16-31(21,26)7/h10,18,22-29,37-39H,11-17H2,1-9H3/t22-,23-,24+,25+,26+,27-,28+,29-,31+,32-,33+,34+/m0/s1 > OLOLVKCRAVUVOL-ZEFPMHOGSA-N > C34H54O7 > 574.799 > 574.386954079 > 5 > 95 > 65.55131322119591 > 1 > 3 > 0 > 0 > [(1S,2S,5R,6S,8R,9R,10R,14S,16R,17R,19S,21S)-16-(acetyloxy)-8,17,21-trihydroxy-2,10,14,18,18-pentamethyl-6-(propan-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicos-12-en-5-yl]methyl acetate > 4.40 > 3.2991592736666644 > -5.21 > 1 > 5 > 0 > 14.928728958114505 > 13.708389523936315 > -0.4473141681861844 > 113.29000000000002 > 156.60500000000002 > 6 > 0 > 3.53e-03 g/l > [(1S,2S,5R,6S,8R,9R,10R,14S,16R,17R,19S,21S)-16-(acetyloxy)-8,17,21-trihydroxy-6-isopropyl-2,10,14,18,18-pentamethylpentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicos-12-en-5-yl]methyl acetate > 0 > NP0071763 > Rubianol e $$$$