Ketcher 08201512012D 1 1.00000 0.00000 0 34 37 0 1 0 999 V2000 -4.1952 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0809 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0809 -2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3381 -2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4619 -2.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 -2.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4619 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3381 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4619 0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 0.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 0.4780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 -0.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8238 -0.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 0.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 1.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3381 -0.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7095 -1.5315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 1.2876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3407 -2.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9791 -2.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 1.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8795 2.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 1.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7551 0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6308 2.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 2.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2522 1.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6234 2.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1952 -2.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0710 -3.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1952 -3.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3292 -3.8620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 12 1 0 0 0 16 12 1 0 0 0 11 12 1 0 0 0 12 17 1 1 0 0 7 13 1 0 0 0 14 13 1 0 0 0 13 19 1 6 0 0 10 8 1 0 0 0 9 8 1 0 0 0 7 8 2 0 0 0 6 7 1 0 0 0 4 9 1 0 0 0 9 18 1 1 0 0 1 9 1 0 0 0 15 16 1 0 0 0 29 16 1 0 0 0 16 20 1 6 0 0 10 11 1 0 0 0 15 14 1 0 0 0 5 6 1 0 0 0 31 4 1 0 0 0 5 4 1 0 0 0 2 1 1 0 0 0 3 31 1 0 0 0 3 2 1 0 0 0 4 21 1 6 0 0 3 22 1 1 0 0 28 23 1 0 0 0 24 23 1 0 0 0 25 24 2 0 0 0 26 25 1 0 0 0 27 25 1 0 0 0 28 29 1 0 0 0 29 30 1 6 0 0 31 33 1 0 0 0 31 32 1 1 0 0 33 34 1 0 0 0 M END > CHEBI:87289 > 4alpha-hydroxymethyl-4beta-methylzymosterol > A 3β-sterol that consists of 4β-methylzymosterol in which the 4α-hydrogen is replaced by a hydroxymethyl group. > 3 > 4-alpha-hydroxymethyl-4-beta-methylzymosterol; (3beta,4alpha,5alpha)-4-(hydroxymethyl)-4-methylcholesta-8,24-dien-3-ol > 4alpha-(hydroxymethyl)-4-methyl-5alpha-cholesta-8,24-dien-3beta-ol > C29H48O2 > 428.69020 > 428.36543 > 0 > C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)[C@@H]1CC3 > InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,20,22-23,25-26,30-31H,7,9-18H2,1-6H3/t20-,22-,23+,25-,26+,27-,28-,29+/m1/s1 > LEUVIESGHNFBEK-WKYRUEGDSA-N > CPD-4575 $$$$