10951525 -OEChem-04242406192D 88 88 0 1 0 0 0 0 0999 V2000 14.1244 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9904 -1.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2583 -1.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8564 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7224 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 1.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7942 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6104 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3704 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8783 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6383 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1463 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9063 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3424 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1024 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8530 -0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0560 -0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -2.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 1 0 0 0 1 51 1 0 0 0 0 2 10 2 0 0 0 0 3 25 1 0 0 0 0 3 37 1 0 0 0 0 4 20 1 0 0 0 0 4 85 1 0 0 0 0 5 37 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 39 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 1 0 0 0 7 40 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 1 0 0 0 8 41 1 0 0 0 0 9 14 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 13 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 15 1 1 0 0 0 13 16 1 0 0 0 0 13 50 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 16 19 2 0 0 0 0 16 55 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 20 1 0 0 0 0 18 59 1 0 0 0 0 19 24 1 0 0 0 0 19 26 1 0 0 0 0 20 61 1 0 0 0 0 20 62 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 21 31 1 6 0 0 0 21 60 1 0 0 0 0 22 25 1 0 0 0 0 22 32 1 1 0 0 0 22 34 1 0 0 0 0 22 63 1 0 0 0 0 23 27 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 27 2 0 0 0 0 24 67 1 0 0 0 0 25 30 1 1 0 0 0 25 64 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 71 1 0 0 0 0 28 29 2 0 0 0 0 28 72 1 0 0 0 0 29 33 1 0 0 0 0 29 35 1 0 0 0 0 30 33 2 0 0 0 0 30 73 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 33 80 1 0 0 0 0 34 36 2 0 0 0 0 34 81 1 0 0 0 0 35 38 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 36 37 1 0 0 0 0 36 84 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 M END > 10951525 > 1 > 948 > 5 > 2 > 15 > AAADcfB8OAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADRSggAICCAAABgCIAqDSCAAAAAAgAAAICAEAAEgIFBYAIQACUAAE4AAIsYOIiMCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S,3S)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S,17E)-3-ethyl-14,19-dihydroxy-5,9,11,13,15,17-hexamethyl-12-oxo-nonadeca-1,3,7,9,17-pentaenyl]-3-methyl-2,3-dihydropyran-6-one > (2S,3S)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S,17E)-3-ethyl-14,19-dihydroxy-5,9,11,13,15,17-hexamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-3-methyl-2,3-dihydropyran-6-one > (2S,3S)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S,17E)-3-ethyl-14,19-dihydroxy-5,9,11,13,15,17-hexamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-3-methyl-2,3-dihydropyran-6-one > (2S,3S)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S,17E)-3-ethyl-14,19-dihydroxy-5,9,11,13,15,17-hexamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-3-methyl-2,3-dihydropyran-6-one > (2S,3S)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S,17E)-3-ethyl-5,9,11,13,15,17-hexamethyl-14,19-bis(oxidanyl)-12-oxidanylidene-nonadeca-1,3,7,9,17-pentaenyl]-3-methyl-2,3-dihydropyran-6-one > (2S,3S)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S,17E)-3-ethyl-14,19-dihydroxy-12-keto-5,9,11,13,15,17-hexamethyl-nonadeca-1,3,7,9,17-pentaenyl]-3-methyl-2,3-dihydropyran-6-one > InChI=1S/C33H50O5/c1-9-29(14-15-30-25(5)13-16-31(35)38-30)21-23(3)12-10-11-22(2)19-26(6)32(36)28(8)33(37)27(7)20-24(4)17-18-34/h10-11,13-17,19,21,23,25-28,30,33-34,37H,9,12,18,20H2,1-8H3/b11-10+,15-14+,22-19+,24-17+,29-21-/t23-,25+,26-,27+,28-,30+,33-/m1/s1 > DQNLTTQOCOOLMW-QOHVRPTOSA-N > 7.7 > 526.36582469 > C33H50O5 > 526.7 > CCC(=CC(C)CC=CC(=CC(C)C(=O)C(C)C(C(C)CC(=CCO)C)O)C)C=CC1C(C=CC(=O)O1)C > CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/CO)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C > 83.8 > 526.36582469 > 0 > 38 > 7 > 0 > 5 > 0 > 0 > 1 > -1 > 1 5 255 > 6 1 5 13 15 5 21 31 6 22 32 5 25 30 5 7 11 5 8 12 5 $$$$