107778 -OEChem-05092416092D 66 68 0 1 0 0 0 0 0999 V2000 10.7262 -2.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9778 0.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4685 2.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.9022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7262 -0.4022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5923 -1.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5023 -0.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7102 0.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -1.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6082 1.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0923 -2.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5923 -1.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5103 0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -2.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 -0.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -1.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 -2.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -2.9297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6044 2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6928 -1.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6994 -3.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -2.9363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3251 -1.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4591 0.0285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7068 -0.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1139 -0.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4922 1.2197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1010 0.5238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5553 -3.0782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4023 -3.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6292 -2.4582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5923 -2.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2123 -1.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5923 -1.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0484 0.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9734 -3.0568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5245 -0.5693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9353 -3.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7324 -3.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3901 2.7489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9942 2.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2285 -1.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3807 -1.0265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1570 -1.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1637 -3.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0115 -3.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2352 -2.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8608 -1.9565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0637 -1.9596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4445 0.9486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 -3.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 -3.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4661 3.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 -1.9632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3317 -1.9663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 -3.4195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 -3.4164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -1.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -2.1384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -2.9845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 16 1 0 0 0 0 2 56 1 0 0 0 0 3 21 1 0 0 0 0 3 59 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 29 1 1 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 30 1 6 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 11 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 18 2 0 0 0 0 11 14 2 0 0 0 0 11 21 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 24 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 M END > 107778 > 1 > 550 > 3 > 2 > 7 > AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAA0QIAAAAAAAACRAAAAGgAACAAAD0SgmAIyBoAABgCAAiBCAAACCAAgIAAAiAAGCIgMNyKGMRqCeCClwBUIuAeA4PwPwAABCAAIAACAAAIQABAAAAAAAAAAAA== > (6aS,10aS)-3-(1,1-dimethylheptyl)-9-(hydroxymethyl)-6,6-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol > (6aS,10aS)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c][1]benzopyran-1-ol > (6aS,10aS)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol > (6aS,10aS)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol > (6aS,10aS)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol > (6aS,10aS)-3-(1,1-dimethylheptyl)-6,6-dimethyl-9-methylol-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol > InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m0/s1 > SSQJFGMEZBFMNV-PMACEKPBSA-N > 6.4 > 386.28209507 > C25H38O3 > 386.6 > CCCCCCC(C)(C)C1=CC(=C2C3CC(=CCC3C(OC2=C1)(C)C)CO)O > CCCCCCC(C)(C)C1=CC(=C2[C@H]3CC(=CC[C@@H]3C(OC2=C1)(C)C)CO)O > 49.7 > 386.28209507 > 0 > 28 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 18 8 16 19 8 17 18 8 17 19 8 4 29 5 5 30 6 9 10 8 9 16 8 $$$$