Mrv1652309122203002D 41 45 0 0 1 0 999 V2000 -0.5116 -1.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3056 -1.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6165 -2.1509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4338 -2.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 -3.0280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -3.1408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8728 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 1 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 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 0 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 2 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 9.2974 -2.2757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1095 -2.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6413 -2.7612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4534 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7337 -1.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3610 -3.5371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8928 -4.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5489 -3.6824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2686 -4.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0171 -3.0516 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 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 0.1102 -2.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 -3.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 -2.6894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 8 6 1 1 0 0 0 8 9 1 0 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 2 0 0 0 0 13 14 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 19 18 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 1 0 0 0 24 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 19 28 1 0 0 0 0 28 29 1 1 0 0 0 17 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 15 32 1 0 0 0 0 32 33 1 1 0 0 0 32 34 1 0 0 0 0 34 12 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 11 37 1 0 0 0 0 8 37 1 0 0 0 0 37 38 1 1 0 0 0 3 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M END > NP0322311 > NP-MRD > CC[C@H](\C=C\[C@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)C > InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-9,11,20-24,26-33,36-39H,7,10,12-19H2,1-6H3/b9-8+/t21-,22+,23+,24-,26+,27-,28-,29+,30+,31-,32+,33+,34-,35+/m0/s1 > ITYGLICZKGWOPA-PIXMJVCGSA-N > C35H58O6 > 574.843 > 574.423339588 > 6 > 99 > 67.78901143920216 > 0 > 4 > 0 > 0 > (2R,3R,4S,5S,6R)-2-{[(1R,2S,5S,7R,11R,14R,15R)-14-[(2S,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 5.711719489666666 > 1 > 5 > 0 > 13.200095770561717 > 12.210576078201704 > -2.9810835415256562 > 99.38000000000001 > 163.29600000000005 > 8 > 0 > (2R,3R,4S,5S,6R)-2-{[(1R,2S,5S,7R,11R,14R,15R)-14-[(2S,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > NP0322311 > (2r,3r,4s,5s,6r)-2-{[(1r,3ar,5ar,7s,9as,9br,11ar)-1-[(2s,3e,5s)-5-ethyl-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol $$$$