16219478 -OEChem-02021014342D 68 71 0 1 0 0 0 0 0999 V2000 6.1847 -3.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -2.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.9090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 2.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.6597 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9288 0.3403 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0628 -1.1597 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1968 -0.6597 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2868 -1.1666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 0.6450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2787 -2.2082 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0628 0.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 0.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8750 -0.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4587 -0.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.7290 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3599 -0.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -2.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 1.5956 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2945 -0.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4121 -1.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.2154 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1642 1.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 2.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -1.5049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -1.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.2347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.7769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 1.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6643 1.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 0.2326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -1.5313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.2737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -2.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.5744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 0.2550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 -3.0359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 1.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.9603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 1.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.2308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 2.1849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 0.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -0.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.2318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -1.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 1.1821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.7144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.7539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.9258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7228 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 3.3720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3707 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 64 1 0 0 0 0 2 24 1 0 0 0 0 2 65 1 0 0 0 0 3 28 1 0 0 0 0 3 68 1 0 0 0 0 4 28 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 5 29 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 1 0 0 0 10 16 1 0 0 0 0 10 21 1 0 0 0 0 10 32 1 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 24 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 25 27 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 M END > 16219478 > 1 > 605 > 4 > 3 > 4 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDAAAAAGgAACAAADxSggAICCAAAAgAIAACQCAAAAAAAAAAAAAEAAAAAEBIAAAAAQAAEAAAAAAHIyPCPgAAAAAAAAADAAAYAADAAAQAACAAAAA== > 4-[(10R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid > 4-[(10R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid > 4-[(10R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid > 4-[(10R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid > 4-[(10R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid > InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14?,15?,16?,17?,18?,19?,20?,21?,23?,24-/m1/s1 > DGABKXLVXPYZII-QMUAXRJGSA-N > 4.9 > 392.29266 > C24H40O4 > 392.572 > CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C > CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(C4[C@@]3(CCC(C4)O)C)O)C > 77.8 > 392.29266 > 0 > 28 > 1 > 9 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 17 1 3 10 32 3 11 33 3 24 2 3 21 26 3 5 29 3 6 19 3 7 30 3 8 31 3 9 22 5 $$$$