Mrv1652309102210262D 24 27 0 0 1 0 999 V2000 2.8728 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -3.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -1.7404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9853 -1.5952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 -1.3047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4216 -1.1595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7019 -0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7655 -1.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.0807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0489 -2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -2.2259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.5163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5330 -3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 7 6 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 6 0 0 0 9 10 1 0 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 11 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 8 20 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 3 23 1 0 0 0 0 7 23 1 0 0 0 0 23 24 1 1 0 0 0 M END > NP0297778 > NP-MRD > C\C=C1\C(=O)C[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C > InChI=1S/C21H32O3/c1-4-13-18(23)11-16-12-5-6-15-19(24)17(22)8-10-21(15,3)14(12)7-9-20(13,16)2/h4,12,14-17,19,22,24H,5-11H2,1-3H3/b13-4-/t12-,14+,15+,16+,17+,19+,20-,21-/m1/s1 > AGSIHXUUMSXXHC-MTYDKGJGSA-N > C21H32O3 > 332.484 > 332.23514489 > 3 > 56 > 39.15481541821351 > 1 > 2 > 0 > 1 > (1S,2R,5S,6S,7R,10R,11S,14E,15S)-14-ethylidene-5,6-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-one > 3.0963429396666666 > 0 > 4 > 0 > 15.229205142050567 > 13.754922110681768 > -3.1488112475605003 > 57.53 > 95.09299999999998 > 0 > 1 > (1S,2R,5S,6S,7R,10R,11S,14E,15S)-14-ethylidene-5,6-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-one > 0 > NP0297778 > (1e,3as,3br,5ar,6s,7s,9ar,9bs,11as)-1-ethylidene-6,7-dihydroxy-9a,11a-dimethyl-dodecahydro-3h-cyclopenta[a]phenanthren-2-one $$$$