Ketcher 08221615272D 1 1.00000 0.00000 0 28 31 0 1 0 999 V2000 5.2841 -6.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4007 -6.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4007 -8.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2841 -8.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1390 -8.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0130 -8.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9058 -8.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9058 -6.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0130 -6.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1390 -6.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0130 -5.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9058 -5.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7609 -5.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7609 -6.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7202 -6.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2902 -6.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7202 -5.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7609 -4.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1390 -6.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7609 -7.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9154 -5.9933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0130 -7.5227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7273 -4.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5656 -8.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1439 -8.8950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7202 -4.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5862 -3.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -3.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 13 1 0 0 0 17 13 1 0 0 0 12 13 1 0 0 0 13 18 1 1 0 0 8 14 1 0 0 0 15 14 1 0 0 0 14 20 1 6 0 0 11 9 1 0 0 0 10 9 1 0 0 0 8 9 1 0 0 0 9 22 1 6 0 0 7 8 1 0 0 0 8 21 1 1 0 0 5 10 1 0 0 0 10 19 1 1 0 0 1 10 1 0 0 0 16 17 1 0 0 0 17 23 1 6 0 0 11 12 1 0 0 0 16 15 1 0 0 0 6 7 1 0 0 0 4 5 1 0 0 0 6 5 1 0 0 0 2 1 1 0 0 0 3 4 1 0 0 0 3 2 1 0 0 0 3 24 2 0 0 0 5 25 1 1 0 0 17 26 1 0 0 0 26 27 1 6 0 0 26 28 1 0 0 0 M END > CHEBI:78666 > 5beta-pregnan-20alpha-ol-3-one > A 3-oxo-5β-steroid that is 5β-pregnan-3-one carrying an additional 20α-hydroxy substituent. > 3 > 20alpha-hydroxy-5beta-pregnan-3-one > (5beta,20S)-20-hydroxypregnan-3-one > C21H34O2 > 318.494 > 318.25588 > 0 > C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(CC(C1)=O)[H])[H])(CC[C@]4([H])[C@@H](O)C)[H])C)[H])C > InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14+,16-,17+,18-,19-,20-,21+/m0/s1 > DYVGYXXLXQESJE-WTVMURBBSA-N > 3208772 $$$$