Mrv1652309022211172D 27 30 0 0 1 0 999 V2000 -0.3521 -1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 -1.0041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9302 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7243 -0.5413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5447 0.2639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3483 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1327 0.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1593 -0.1528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1263 0.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9556 0.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5466 -0.8812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3662 -0.7868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8578 -1.4493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5298 -2.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7103 -2.3008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3823 -3.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2187 -1.6382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9482 -2.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -3.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4223 -1.8538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2710 -2.6648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7573 -1.3656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9835 -1.6517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7601 -2.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1858 -0.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0105 -0.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4465 0.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 4 3 1 0 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 8 6 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 6 0 0 0 11 8 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 15 14 1 0 0 0 0 15 16 1 1 0 0 0 17 15 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 6 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 4 1 1 0 0 0 22 23 1 0 0 0 0 23 2 1 0 0 0 0 23 24 1 1 0 0 0 13 25 1 0 0 0 0 12 25 1 1 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 M END > NP0152748 > NP-MRD > C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)[C@]1(CO)[C@H](O)C[C@H]3[C@@H]([C@H]1[C@@](C)(O)C2=O)C3(C)C > InChI=1S/C20H32O7/c1-8-6-20(27)12(13(8)23)15(24)19(7-21)10(22)5-9-11(17(9,2)3)14(19)18(4,26)16(20)25/h8-15,21-24,26-27H,5-7H2,1-4H3/t8-,9-,10+,11-,12+,13-,14-,15+,18+,19+,20+/m0/s1 > NMLCAKQOPLYXKR-OHGVRFBNSA-N > C20H32O7 > 384.469 > 384.21480337 > 7 > 59 > 40.437715894495085 > 1 > 6 > 0 > 0 > (1R,2R,3R,4S,5S,7R,9R,10R,11S,13S,15R)-2,4,7,9,15-pentahydroxy-1-(hydroxymethyl)-5,9,12,12-tetramethyltetracyclo[8.5.0.0^{3,7}.0^{11,13}]pentadecan-8-one > -0.29 > -1.3513106230000003 > -1.60 > 0 > 4 > 0 > 13.122932689447019 > 12.408053191193236 > -2.826422870629509 > 138.45000000000002 > 95.55280000000002 > 1 > 0 > 9.57e+00 g/l > (1R,2R,3R,4S,5S,7R,9R,10R,11S,13S,15R)-2,4,7,9,15-pentahydroxy-1-(hydroxymethyl)-5,9,12,12-tetramethyltetracyclo[8.5.0.0^{3,7}.0^{11,13}]pentadecan-8-one > 0 > NP0152748 > (1r,2r,3r,4s,5s,7r,9r,10r,11s,13s,15r)-2,4,7,9,15-pentahydroxy-1-(hydroxymethyl)-5,9,12,12-tetramethyltetracyclo[8.5.0.0³,⁷.0¹¹,¹³]pentadecan-8-one $$$$