Mrv1652309062217342D 28 30 0 0 1 0 999 V2000 4.8045 2.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9601 1.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7396 1.2207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3634 1.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8952 0.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2713 -0.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4919 0.1410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7373 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3363 0.9512 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6109 1.4262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7929 2.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7457 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8928 1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2975 0.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4927 1.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5779 0.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0158 -0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4136 -0.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1449 -0.6424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9587 -1.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5617 -2.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3508 -1.7685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3755 -2.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 -0.5374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4116 -1.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6447 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 0.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 0.6930 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 1 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 6 0 0 0 7 9 1 0 0 0 0 9 2 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 19 24 1 0 0 0 0 7 24 1 0 0 0 0 24 25 1 1 0 0 0 18 26 1 0 0 0 0 12 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 M END > NP0233823 > NP-MRD > CC(=O)O[C@H]1[C@H](O)[C@]2(C)CC[C@H](O)C(=C)[C@H]2[C@H](O)C2CC(=O)C(C)=C1C2(C)C > InChI=1S/C22H32O6/c1-10-14(24)7-8-22(6)16(10)18(26)13-9-15(25)11(2)17(21(13,4)5)19(20(22)27)28-12(3)23/h13-14,16,18-20,24,26-27H,1,7-9H2,2-6H3/t13?,14-,16-,18+,19+,20-,22+/m0/s1 > XFEUMJJMSJHHTG-YQSHZWRQSA-N > C22H32O6 > 392.492 > 392.21988875 > 5 > 60 > 41.52918716089284 > 1 > 3 > 0 > 1 > (2R,3R,5S,8R,9R,10R)-2,5,9-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0^{3,8}]pentadec-11-en-10-yl acetate > 0.9375610079999994 > 0 > 3 > 0 > 14.355098196690317 > 13.552128576914058 > -2.9649876651637266 > 104.06000000000002 > 103.75660000000002 > 2 > 1 > (2R,3R,5S,8R,9R,10R)-2,5,9-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0^{3,8}]pentadec-11-en-10-yl acetate > 0 > NP0233823 > (2r,3r,5s,8r,9r,10r)-2,5,9-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxotricyclo[9.3.1.0³,⁸]pentadec-11-en-10-yl acetate $$$$