Mrv1652309122217412D 24 26 0 0 1 0 999 V2000 4.6465 0.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6465 -0.1178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5032 -0.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4217 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0537 -0.3659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4452 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 -1.3966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9355 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9520 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 6 0 0 0 3 4 1 1 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 13 12 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 1 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 1 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 9 22 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 6 0 0 0 10 24 1 0 0 0 0 2 24 1 0 0 0 0 M END > NP0330388 > NP-MRD > C[C@@]1(CC[C@@H]2C(C1)=CC[C@@H]1[C@@](C)(CO)[C@@H](O)CC[C@@]21C)[C@H](O)CO > InChI=1S/C20H34O4/c1-18(17(24)11-21)8-6-14-13(10-18)4-5-15-19(14,2)9-7-16(23)20(15,3)12-22/h4,14-17,21-24H,5-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20-/m1/s1 > SMWFFXGYNIDWPX-KOGWCRERSA-N > C20H34O4 > 338.488 > 338.245709575 > 4 > 58 > 39.04534585182586 > 1 > 4 > 0 > 1 > (1S)-1-[(2S,4aR,4bS,7S,8S,8aS)-7-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthren-2-yl]ethane-1,2-diol > 1.3122229790000008 > 0 > 3 > 0 > 14.534229707961476 > 13.77284951759022 > -2.785680419725521 > 80.92 > 94.99989999999998 > 3 > 1 > (1S)-1-[(2S,4aR,4bS,7S,8S,8aS)-7-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthren-2-yl]ethane-1,2-diol > 0 > NP0330388 > (1s)-1-[(2s,4ar,4bs,7s,8s,8as)-7-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-3,4,4a,5,6,7,8a,9-octahydro-1h-phenanthren-2-yl]ethane-1,2-diol $$$$