Ketcher 01312012522D 1 1.00000 0.00000 0 37 40 0 1 0 999 V2000 12.8847 -6.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9303 -6.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9303 -7.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8847 -8.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8393 -7.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7937 -8.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7484 -7.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7484 -6.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7937 -6.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8393 -6.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7937 -5.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7484 -4.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7026 -5.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7026 -6.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6119 -6.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6119 -5.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6573 -4.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7026 -4.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8393 -6.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6573 -3.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7597 -3.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4209 -3.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1844 -3.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9481 -3.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7115 -3.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4752 -3.3235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7115 -4.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2755 -4.2892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6573 -2.8242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8393 -8.6848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2475 -8.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4639 -8.4699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7484 -3.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4770 -4.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7484 -5.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7730 -7.2262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7026 -7.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 20 1 0 0 0 20 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 1 10 1 0 0 0 5 10 1 0 0 0 9 10 1 0 0 0 8 14 1 0 0 0 13 17 1 0 0 0 13 18 1 1 0 0 10 19 1 1 0 0 20 21 1 6 0 0 17 28 1 6 0 0 20 29 1 1 0 0 5 30 1 6 0 0 3 31 1 6 0 0 7 32 1 6 0 0 12 33 1 6 0 0 25 34 1 0 0 0 8 35 1 1 0 0 9 36 1 6 0 0 14 37 1 6 0 0 M END > CHEBI:145965 > 5a-cholestane-3a,7a,12a,25-tetrol > 2 > 5alpha-cholestane-3alpha,7alpha,12alpha,25-tetrol > C27H48O4 > 436.677 > 436.35526 > 0 > C1C[C@H](C[C@@]2(C[C@H]([C@@]3([C@](C[C@@H]([C@]4([C@]3(CC[C@@]4([C@@](CCCC(C)(C)O)(C)[H])[H])[H])C)O)([C@@]12C)[H])[H])O)[H])O > InChI=1S/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17-,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1 > NTIXPPFPXLYJCT-SWXWTCIYSA-N > LMST04030031 $$$$