Marvin 12110616282D 37 42 0 0 0 0 999 V2000 -3.4583 -0.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7439 -2.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3149 -2.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6005 -1.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6005 0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3149 0.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8986 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7439 -0.4604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7439 0.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 -1.6979 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1728 -2.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -0.0479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8685 -0.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1682 0.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3149 -0.4604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3149 -1.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -0.4604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1140 -1.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8986 0.6195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7657 1.5109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 0.3646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1140 1.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6005 -0.8729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6005 -0.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0294 -0.8729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0294 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0294 -1.6979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0294 -2.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 1.2870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2065 2.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8826 0.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5971 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8826 2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1682 1.0320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1682 1.8571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5971 1.8571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3116 2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 0 0 0 0 25 8 1 0 0 0 0 1 10 1 0 0 0 0 10 2 1 0 0 0 0 27 2 1 0 0 0 0 15 25 1 0 0 0 0 25 27 1 0 0 0 0 27 3 1 0 0 0 0 3 4 1 0 0 0 0 23 4 1 0 0 0 0 17 23 1 0 0 0 0 23 15 1 0 0 0 0 15 6 1 0 0 0 0 5 6 1 0 0 0 0 21 5 1 0 0 0 0 17 7 1 0 0 0 0 17 21 1 0 0 0 0 21 19 1 0 0 0 0 12 7 1 0 0 0 0 19 29 1 0 0 0 0 19 12 1 0 0 0 0 12 14 1 0 0 0 0 29 34 1 0 0 0 0 34 14 1 0 0 0 0 8 9 1 1 0 0 0 10 11 1 6 0 0 0 12 13 1 6 0 0 0 15 16 1 6 0 0 0 17 18 1 6 0 0 0 19 20 1 6 0 0 0 21 22 1 1 0 0 0 23 24 1 1 0 0 0 25 26 1 1 0 0 0 27 28 1 1 0 0 0 29 30 1 6 0 0 0 31 32 1 0 0 0 0 34 31 1 1 0 0 0 32 36 1 0 0 0 0 36 33 1 0 0 0 0 33 35 1 0 0 0 0 34 35 1 6 0 0 0 36 37 1 6 0 0 0 M END > CHEBI:35370 > (25R)-5beta-spirostan-1beta,3alpha-diol > 3 > (25R)-5beta-spirostane-1beta,3alpha-diol > (25R)-5beta-spirostan-1beta,3alpha-diol > C27H44O4 > 432.63586 > 432.32396 > 0 > [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@]43[H])[C@@]1(C)[C@H](O)C[C@@H](O)C2 > InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17-,18+,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1 > NCLLSOCDVMFDSK-FQXYYZOXSA-N $$$$