Mrv1652304282222462D 34 38 0 0 1 0 999 V2000 4.8390 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2623 1.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8607 1.7785 0.0000 C 0 0 1 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 0 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 1 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 0 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 2 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 -1.3587 -0.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 -0.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1836 -0.2580 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 3.2109 1.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7112 1.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 2.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0666 0.8741 0.0000 C 0 0 0 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 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8025 -1.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4095 -1.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 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 2 0 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 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 6 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 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 14 25 1 6 0 0 0 10 26 1 6 0 0 0 5 27 1 1 0 0 0 3 28 1 1 0 0 0 2 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 1 31 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 M END > NP0075499 > NP-MRD > CC(C)[C@@H]1CCC2=C1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O > InChI=1S/C31H48O3/c1-18(2)20-9-10-21-23(33)17-31(8)22(27(20)21)11-12-25-29(6)15-14-26(34-19(3)32)28(4,5)24(29)13-16-30(25,31)7/h11,18,20,23-26,33H,9-10,12-17H2,1-8H3/t20-,23+,24-,25+,26-,29-,30+,31+/m0/s1 > QPAYMQCYVQKZLP-QILHUBFGSA-N > C31H48O3 > 468.722 > 468.360345406 > 2 > 82 > 56.93019552631192 > 1 > 1 > 0 > 0 > (1R,2S,4R,8S,13R,14R,17S,19R)-4-hydroxy-1,2,14,18,18-pentamethyl-8-(propan-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosa-5(9),10-dien-17-yl acetate > 6.71 > 5.851142728000001 > -5.56 > 0 > 5 > 0 > 19.094642235558336 > -1.0078030478284892 > 46.53 > 138.75609999999998 > 3 > 0 > 1.30e-03 g/l > (1R,2S,4R,8S,13R,14R,17S,19R)-4-hydroxy-8-isopropyl-1,2,14,18,18-pentamethylpentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosa-5(9),10-dien-17-yl acetate > 0 > NP0075499 > (+)-Koelpinin B $$$$