Mrv1652309032208072D 46 51 0 0 1 0 999 V2000 1.2580 2.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9886 2.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6858 2.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0221 1.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 0.7668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5943 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1028 0.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8695 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3962 0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2195 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9551 -0.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1557 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3584 -0.0575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5408 0.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1644 0.1186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4149 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2209 1.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7763 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5258 -0.3153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3119 -0.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7019 -1.1213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7199 -0.4914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8107 -1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5663 -1.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 -1.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6394 -0.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9865 -1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6512 -0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4068 -1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4976 -2.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 -2.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0774 -2.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4694 -1.2774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0248 -1.8874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7743 -2.6734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9683 -2.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3298 -3.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1358 -3.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6913 -3.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4408 -4.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6348 -4.6794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 -4.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6634 -1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1079 -0.8435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4789 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3136 -0.6206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 13 5 1 6 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 15 16 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 19 21 1 1 0 0 0 19 22 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 27 32 1 0 0 0 0 22 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 37 42 1 0 0 0 0 33 43 1 0 0 0 0 43 44 1 0 0 0 0 13 44 1 0 0 0 0 44 45 1 1 0 0 0 44 46 1 6 0 0 0 M END > NP0170056 > NP-MRD > CC(=O)O[C@@H](CC1=CC(=O)OC1)[C@]1(C)[C@H]2CCC[C@]3(CO3)[C@]2(COC(=O)C2=CC=CC=C2)[C@H](C[C@]1(C)O)OC(=O)C1=CC=CC=C1 > InChI=1S/C36H40O10/c1-23(37)45-28(17-24-18-30(38)42-20-24)34(3)27-15-10-16-35(21-44-35)36(27,22-43-31(39)25-11-6-4-7-12-25)29(19-33(34,2)41)46-32(40)26-13-8-5-9-14-26/h4-9,11-14,18,27-29,41H,10,15-17,19-22H2,1-3H3/t27-,28+,29+,33+,34+,35+,36+/m1/s1 > WEMANRXAHPPLNI-HZXVDWMXSA-N > C36H40O10 > 632.706 > 632.262147488 > 6 > 86 > 65.91351008498575 > 0 > 1 > 0 > 0 > [(1R,4aR,5S,6S,8S,8aR)-5-[(1S)-1-(acetyloxy)-2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-8-(benzoyloxy)-6-hydroxy-5,6-dimethyl-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-8a-yl]methyl benzoate > 3.98 > 4.701088523333331 > -5.78 > 1 > 6 > 0 > 14.400076994965517 > 7.105244887386489 > -3.061256821709417 > 137.96 > 165.22759999999994 > 12 > 0 > 1.05e-03 g/l > (1R,4aR,5S,6S,8S,8aR)-5-[(1S)-1-(acetyloxy)-2-(5-oxo-2H-furan-3-yl)ethyl]-8-(benzoyloxy)-6-hydroxy-5,6-dimethyl-hexahydrospiro[naphthalene-1,2'-oxirane]-8a-ylmethyl benzoate > 0 > NP0170056 > (1r,4ar,5s,6s,8s,8ar)-5-[(1s)-1-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-8-(benzoyloxy)-6-hydroxy-5,6-dimethyl-hexahydrospiro[naphthalene-1,2'-oxiran]-8a-ylmethyl benzoate $$$$