Mrv1652309092221522D 25 28 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 4.3708 -0.9394 0.0000 C 0 0 0 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 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 1 0 0 0 0 0 0 0 0 0 8.2049 -3.1969 0.0000 O 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 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 12 11 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 12 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 9 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 3 24 1 0 0 0 0 7 24 1 0 0 0 0 24 25 1 1 0 0 0 M END > NP0289605 > NP-MRD > C\C=C1\C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C > InChI=1S/C22H34O3/c1-5-14-18(24)12-22(4)16-7-6-13-10-17(23)19(25)11-20(13,2)15(16)8-9-21(14,22)3/h5,13,15-17,19,23,25H,6-12H2,1-4H3/b14-5-/t13-,15-,16+,17+,19-,20-,21+,22-/m0/s1 > AIJGMSCJJXMPCV-YXKHCCBRSA-N > C22H34O3 > 346.511 > 346.250794955 > 3 > 59 > 40.60204591486764 > 1 > 2 > 0 > 1 > (1S,2S,4S,5R,7S,10R,11S,14E,15S)-14-ethylidene-4,5-dihydroxy-2,11,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-one > 3.318436329666667 > 0 > 4 > 0 > 15.332838731341575 > 13.89460038217528 > -3.1488533070700386 > 57.53 > 99.64509999999997 > 0 > 1 > (1S,2S,4S,5R,7S,10R,11S,14E,15S)-14-ethylidene-4,5-dihydroxy-2,11,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-one > 0 > NP0289605 > (1e,3as,3br,5as,7r,8s,9as,9bs,11as)-1-ethylidene-7,8-dihydroxy-3a,9a,11a-trimethyl-dodecahydrocyclopenta[a]phenanthren-2-one $$$$