Mrv1652309122214012D 38 40 0 0 1 0 999 V2000 3.6771 0.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0212 -0.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2509 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3319 0.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4711 -0.4156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7173 -1.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -0.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -0.3571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1612 -1.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8206 -0.9804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7382 -1.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6306 -0.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8835 -0.2769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8191 -0.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3596 0.5791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6291 1.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0885 1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2785 1.8256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1787 2.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 2.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7734 2.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8383 3.0637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6096 3.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 2.8618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 3.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5495 0.4226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4539 1.3435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9116 2.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7775 2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2619 1.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1138 2.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6942 0.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0179 0.0818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4194 -0.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8807 -1.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4797 -2.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 -1.5602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 8 7 1 1 0 0 0 8 9 1 6 0 0 0 8 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 1 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 18 26 1 0 0 0 0 27 26 1 6 0 0 0 8 27 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 28 29 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 28 33 1 0 0 0 0 33 34 1 0 0 0 0 15 34 1 0 0 0 0 34 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 2 0 0 0 0 M END > NP0328505 > NP-MRD > CC[C@H](C)C(=O)O[C@@H]1C[C@H]2[C@]3([C@@H](OC(C)=O)O[C@@H](OC(C)=O)C3=C1)[C@H](O)C[C@H](C)[C@]2(C)C[C@H](O)C(=C)C=C > InChI=1S/C29H42O9/c1-9-15(3)22(32)14-28(8)17(5)11-24(33)29-21(26(35-18(6)30)38-27(29)36-19(7)31)12-20(13-23(28)29)37-25(34)16(4)10-2/h9,12,16-17,20,22-24,26-27,32-33H,1,3,10-11,13-14H2,2,4-8H3/t16-,17-,20-,22-,23+,24+,26+,27-,28-,29-/m0/s1 > FVXRSGIAXHNGNZ-NDCFKSAKSA-N > C29H42O9 > 534.646 > 534.282882932 > 6 > 80 > 57.409395283031074 > 0 > 2 > 0 > 0 > (1R,3S,5R,6aR,7S,8S,10R,10aR)-1,3-bis(acetyloxy)-10-hydroxy-7-[(2S)-2-hydroxy-3-methylidenepent-4-en-1-yl]-7,8-dimethyl-1H,3H,5H,6H,6aH,7H,8H,9H,10H-naphtho[1,8a-c]furan-5-yl (2S)-2-methylbutanoate > 3.326840812666666 > 1 > 3 > 0 > 18.834624335366225 > 14.456763573222812 > -1.1213733127916625 > 128.59 > 138.2257 > 12 > 0 > (1R,3S,5R,6aR,7S,8S,10R,10aR)-1,3-bis(acetyloxy)-10-hydroxy-7-[(2S)-2-hydroxy-3-methylidenepent-4-en-1-yl]-7,8-dimethyl-1H,3H,5H,6H,6aH,8H,9H,10H-naphtho[1,8a-c]furan-5-yl (2S)-2-methylbutanoate > 0 > NP0328505 > (1r,3s,5r,6ar,7s,8s,10r,10ar)-1,3-bis(acetyloxy)-10-hydroxy-7-[(2s)-2-hydroxy-3-methylidenepent-4-en-1-yl]-7,8-dimethyl-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2s)-2-methylbutanoate $$$$