Mrv1652309042216392D 34 38 0 0 1 0 999 V2000 0.6069 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3975 -1.7350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0529 -1.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -1.7023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8837 -0.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 -0.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4791 -0.6286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 0.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 0.9933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9342 1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7124 2.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3388 1.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1871 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 -1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.7204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1014 -2.1104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3370 -1.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9039 -1.9192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5033 -1.3523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5263 -0.5276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0702 -1.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6696 -1.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6371 -2.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -2.5186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1735 -2.9508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2352 -3.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4326 -3.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 -2.9011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6301 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0632 -3.0923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8276 -3.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4963 -2.4929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6716 -2.5131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2032 -3.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 1 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 8 13 1 0 0 0 0 4 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 18 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 16 28 1 0 0 0 0 28 29 1 6 0 0 0 28 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 0 0 0 0 32 4 1 1 0 0 0 32 33 1 0 0 0 0 2 33 1 0 0 0 0 33 34 1 1 0 0 0 M END > NP0196556 > NP-MRD > C[C@H]1C[C@@]2(OC(=O)C3=CC=CC=C3)[C@H]([C@H]1O)[C@@H](O)[C@]1(C)CC[C@@]3(C)[C@@H]([C@@H](O)C3(C)C)[C@]1(C)C2=O > InChI=1S/C28H38O6/c1-15-14-28(34-22(32)16-10-8-7-9-11-16)17(18(15)29)20(30)26(5)13-12-25(4)19(21(31)24(25,2)3)27(26,6)23(28)33/h7-11,15,17-21,29-31H,12-14H2,1-6H3/t15-,17+,18-,19+,20+,21+,25-,26-,27+,28+/m0/s1 > CPUJHCKQJUJDKJ-BCUQEEAOSA-N > C28H38O6 > 470.606 > 470.266838944 > 5 > 72 > 51.04499486754458 > 1 > 3 > 0 > 0 > (1R,2R,3R,4S,5S,7R,9S,10R,11R,13S)-2,4,11-trihydroxy-1,5,9,12,12,13-hexamethyl-8-oxotetracyclo[7.6.0.0^{3,7}.0^{10,13}]pentadecan-7-yl benzoate > 3.9750890209999996 > 0 > 5 > 0 > 14.480887599371012 > 13.946530884791365 > -2.9974110044123785 > 104.06000000000002 > 126.39660000000002 > 3 > 1 > (1R,2R,3R,4S,5S,7R,9S,10R,11R,13S)-2,4,11-trihydroxy-1,5,9,12,12,13-hexamethyl-8-oxotetracyclo[7.6.0.0^{3,7}.0^{10,13}]pentadecan-7-yl benzoate > 0 > NP0196556 > (1r,2r,3r,4s,5s,7r,9s,10r,11r,13s)-2,4,11-trihydroxy-1,5,9,12,12,13-hexamethyl-8-oxotetracyclo[7.6.0.0³,⁷.0¹⁰,¹³]pentadecan-7-yl benzoate $$$$