44263691 -OEChem-05102406192D 66 69 0 1 0 0 0 0 0999 V2000 10.3820 1.5983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6550 -0.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1469 -2.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0284 1.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6550 -1.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -1.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1251 0.3431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1251 -0.6569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3931 -0.6569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2591 -1.1569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4831 -1.1638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2591 0.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0713 0.6478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0713 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6550 -0.1569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1251 1.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -2.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5562 -0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2752 -2.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 -0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3771 -2.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5396 -2.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6084 -1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -2.2126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3605 1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1550 -1.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6712 2.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1550 -1.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1907 -1.2734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9300 -0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7984 -1.4628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6576 1.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8606 1.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6339 1.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 0.9257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7825 0.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8203 -1.5286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6087 -1.2709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9367 -0.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7451 1.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1251 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5051 1.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9644 -0.1330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1663 -0.1176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1108 -0.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4956 0.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -0.1590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3795 -3.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1423 -3.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9406 -3.2280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4038 -0.5423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9967 -1.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0648 -1.8995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2605 2.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8638 3.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0818 2.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1550 -1.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7750 -1.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1550 -0.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -2.1644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -3.0105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -3.2407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 0 1 27 1 0 0 0 0 17 2 1 1 0 0 0 2 28 1 0 0 0 0 3 21 2 0 0 0 0 26 4 1 1 0 0 0 4 31 1 0 0 0 0 5 27 2 0 0 0 0 6 28 2 0 0 0 0 7 31 2 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 18 1 1 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 34 1 0 0 0 0 11 21 1 0 0 0 0 11 35 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 22 1 1 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 26 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 31 32 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 M END > 44263691 > 1 > 876 > 7 > 0 > 6 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGCAAAAAGgAAAAAADxSggAICCAAABACIAqDSCAAAAAAgAAAACAEAAEgBABIAAQACAAAEwAAKAQOI7PjPgAAAAAAAAADAAAQAACAAAIAADCAAAA== > [(3S,10R,13S,16S,17R)-16,17-diacetoxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate > acetic acid [(3S,10R,13S,16S,17R)-16,17-diacetyloxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester > [(3S,10R,13S,16S,17R)-16,17-diacetyloxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate > [(3S,10R,13S,16S,17R)-16,17-diacetyloxy-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate > [(3S,10R,13S,16S,17R)-16,17-diacetyloxy-10,13-dimethyl-7-oxidanylidene-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate > acetic acid [(3S,10R,13S,16S,17R)-16,17-diacetoxy-7-keto-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester > InChI=1S/C25H34O7/c1-13(26)30-17-6-8-24(4)16(10-17)11-20(29)22-18(24)7-9-25(5)19(22)12-21(31-14(2)27)23(25)32-15(3)28/h11,17-19,21-23H,6-10,12H2,1-5H3/t17-,18?,19?,21-,22?,23-,24-,25-/m0/s1 > RBDPXNQIMQGRHR-PSDPEJNYSA-N > 3 > 446.23045342 > C25H34O7 > 446.5 > CC(=O)OC1CCC2(C3CCC4(C(C3C(=O)C=C2C1)CC(C4OC(=O)C)OC(=O)C)C)C > CC(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4([C@H]([C@H](CC4C3C(=O)C=C2C1)OC(=O)C)OC(=O)C)C)C > 96 > 446.23045342 > 0 > 32 > 5 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 1 5 10 15 3 11 21 3 12 22 5 17 2 5 26 4 5 8 18 5 9 16 3 $$$$