Mrv1652309042215082D 44 45 0 0 1 0 999 V2000 -4.1343 -1.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1343 -0.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4199 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4199 0.5489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7054 0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2357 1.5934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0482 1.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1751 1.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4573 2.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3626 1.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8323 2.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0199 1.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1145 2.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9299 2.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7313 2.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2191 2.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1592 3.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 4.1906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7642 3.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8246 4.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6285 4.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8043 4.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 5.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2661 6.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8235 7.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5608 6.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 7.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7454 6.9566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7095 7.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9441 6.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5161 6.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1244 5.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 5.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0469 4.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0786 3.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4092 3.2853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1482 2.6771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9536 2.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9909 0.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9909 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 -0.6886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 -1.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7054 -0.6886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7054 -1.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 17 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 1 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 13 36 1 0 0 0 0 36 37 1 6 0 0 0 37 38 1 0 0 0 0 5 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 40 43 1 0 0 0 0 3 43 1 0 0 0 0 43 44 1 1 0 0 0 M END > NP0195310 > NP-MRD > CCC1OC(CC(OC)[C@H]1C)(OC)C(\C)=C\C(C)C1OC(=O)\C(OC)=C\C(\C)=C\C(C)C(O)[C@@H](C)C\C(C)=C\C=C\[C@@H]1OC > InChI=1S/C36H58O8/c1-13-29-28(8)32(41-11)21-36(42-12,44-29)27(7)20-26(6)34-30(39-9)16-14-15-22(2)17-24(4)33(37)25(5)18-23(3)19-31(40-10)35(38)43-34/h14-16,18-20,24-26,28-30,32-34,37H,13,17,21H2,1-12H3/b16-14+,22-15+,23-18+,27-20+,31-19-/t24-,25?,26?,28-,29?,30-,32?,33?,34?,36?/m0/s1 > BCUGCPHGSXQZEI-GQEPERGASA-N > C36H58O8 > 618.852 > 618.413168828 > 7 > 102 > 69.94334668704451 > 0 > 1 > 0 > 0 > (3Z,5E,9S,11E,13E,15S)-16-[(3E)-4-[(5R)-6-ethyl-2,4-dimethoxy-5-methyloxan-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one > 6.8736107346666655 > 0 > 2 > 0 > 19.719033268394956 > -0.7341300114925308 > 92.68000000000002 > 179.0669 > 8 > 0 > (3Z,5E,9S,11E,13E,15S)-16-[(3E)-4-[(5R)-6-ethyl-2,4-dimethoxy-5-methyloxan-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one > 0 > NP0195310 > (3z,5e,9s,11e,13e,15s)-16-[(3e)-4-[(5r)-6-ethyl-2,4-dimethoxy-5-methyloxan-2-yl]pent-3-en-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one $$$$