Ketcher 03092309372D 1 1.00000 0.00000 0 28 31 0 1 0 999 V2000 12.8085 -23.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8085 -24.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6726 -24.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5364 -24.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5364 -23.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6726 -22.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4005 -24.6248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2643 -24.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2643 -23.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4005 -22.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1284 -22.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1284 -21.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2643 -21.1331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4005 -21.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4023 -23.6272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1482 -23.6272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3017 -22.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1482 -20.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9139 -24.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5341 -25.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5343 -22.1019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0774 -21.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6638 -22.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0774 -22.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3857 -20.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3614 -20.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7182 -19.6334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0495 -21.0993 0.0000 O 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 1 6 1 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 5 10 1 0 0 0 9 11 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 10 14 1 0 0 0 10 15 1 6 0 0 11 16 1 6 0 0 9 17 1 1 0 0 12 18 1 1 0 0 2 19 1 6 0 0 4 20 1 6 0 0 5 21 1 1 0 0 12 22 1 0 0 0 12 11 1 0 0 0 22 23 1 0 0 0 11 24 1 0 0 0 23 24 1 0 0 0 22 25 1 0 0 0 25 26 1 0 0 0 25 27 2 0 0 0 22 28 1 6 0 0 M END > CHEBI:194477 > 3alpha,17alpha-dihydroxy-5alpha-pregnan-20-one > 3 > 5alpha-pregnane-3alpha,17alpha-diol-20-one; 5alpha-pregnan-3alpha,17alpha-diol-20-one; 5alpha-Pregnan-3alpha,17-diol-20-one; 17alpha-hydroxyallopregnanolone; 17-OH allopregnanolone; (3alpha,5alpha)-3,17-dihydroxypregnan-20-one > 3alpha,17-dihydroxy-5alpha-pregnan-20-one > C21H34O3 > 334.500 > 334.25079 > 0 > [H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)CC[C@]12C > InChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1 > LKQDFQLSEHWIRK-JRRMKBMNSA-N > 6890-65-9 > 1009130; 1248442; 12538619; 1261488; 14522586; 14656473; 15249131; 16608896; 22170725 $$$$