64715 -OEChem-03282416472D 62 64 0 1 0 0 0 0 0999 V2000 6.3465 0.5081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0784 0.4880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 2.0427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 2.0427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3580 1.5080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 3.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2067 -0.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1951 -1.0018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0553 -1.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3233 -1.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0437 -2.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2035 2.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8920 1.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.6503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4732 1.4382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 2.1279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.6253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 2.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4732 3.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 4.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 2.0796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.0057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.8747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.5650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -3.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -3.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6618 -0.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6646 -1.6265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2741 -0.9317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0196 -0.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7829 -1.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6271 -2.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4238 -2.5046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0366 -3.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6637 -2.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 6 0 0 0 1 22 1 0 0 0 0 2 18 1 0 0 0 0 2 24 1 0 0 0 0 21 3 1 6 0 0 0 3 54 1 0 0 0 0 4 22 2 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 1 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 30 1 1 0 0 0 8 14 1 0 0 0 0 8 19 1 1 0 0 0 8 31 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 16 1 0 0 0 0 11 17 2 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 18 13 1 1 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 2 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 17 43 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 6 0 0 0 25 53 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 M END > 64715 > 1 > 637 > 5 > 1 > 7 > AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAkQIAAAAAAAACAAAAAGgAACAAADRSggAICCAAABgCIAiDSCAAAAAAgAAAICAEAAAgIEBYAAQACQAAF4AAIgAOIzPDOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate > (2S)-2-methylbutanoic acid [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester > [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate > [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate > [(1S,7S,8S,8aR)-7-methyl-8-[2-[(2R,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate > (2S)-2-methylbutyric acid [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-keto-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester > InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1 > AJLFOPYRIVGYMJ-INTXDZFKSA-N > 3.9 > 390.24062418 > C23H34O5 > 390.5 > Bypass - this structure was created from CID 64715 > CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O > CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O > 72.8 > 390.24062418 > 0 > 28 > 7 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 9 1 6 18 13 5 25 27 6 21 3 6 6 10 5 7 30 5 8 19 5 $$$$