Mrv1652304282219062D 37 41 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 0 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 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 5.6042 3.8952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7474 3.0378 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 14 22 1 6 0 0 0 11 23 1 6 0 0 0 6 24 1 6 0 0 0 5 25 1 1 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 1 28 1 0 0 0 0 28 29 1 1 0 0 0 26 30 1 6 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 2 33 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 M END > NP0071761 > 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)CC[C@]4(C)C3=CC[C@]21C > InChI=1S/C32H52O5/c1-18(2)21-15-23(35)27-31(8)12-9-20-26(30(31,7)13-14-32(21,27)17-37-19(3)33)22(34)16-24-28(4,5)25(36)10-11-29(20,24)6/h9,18,21-27,34-36H,10-17H2,1-8H3/t21-,22-,23+,24+,25-,26-,27+,29+,30-,31+,32+/m0/s1 > QIFUZQYPSMCPOR-PEBCBOFMSA-N > C32H52O5 > 516.763 > 516.381474774 > 4 > 89 > 60.652035487612864 > 1 > 3 > 0 > 0 > [(1S,2S,5R,6S,8R,9R,10R,14S,17S,19S,21S)-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 > 4.74 > 3.932937470333333 > -4.98 > 0 > 5 > 0 > 19.55373624981265 > 14.899842483981228 > -0.289906646364987 > 86.99000000000001 > 146.09199999999996 > 4 > 0 > 5.47e-03 g/l > [(1S,2S,5R,6S,8R,9R,10R,14S,17S,19S,21S)-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 > NP0071761 > Rubianol c $$$$