Mrv1652309022204322D 21 24 0 0 1 0 999 V2000 5.6625 1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2529 1.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4805 1.3356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9286 1.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 1.8996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6300 1.2251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8162 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8612 0.4332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2480 -0.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6245 0.1202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6736 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 0.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5721 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3409 1.1407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 0.5218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2710 -0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9455 -0.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 -0.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7547 0.2874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3919 -0.2367 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 3 4 1 0 0 0 0 4 5 1 6 0 0 0 6 5 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 15 1 0 0 0 0 11 16 1 0 0 0 0 4 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 1 0 0 0 M END > NP0147026 > NP-MRD > CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)(C33CO3)[C@@]2(CO)C[C@@H]1O > InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3/t8-,9+,10+,11+,12+,13+,14+,15?/m0/s1 > ZAXZBJSXSOISTF-ZSTBYQRGSA-N > C15H22O6 > 298.335 > 298.141638428 > 6 > 43 > 29.89701974531159 > 1 > 4 > 0 > 0 > (1'S,2'R,4'S,7'R,9'R,10'R,11'S)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-ene-4',10',11'-triol > -1.14 > -1.736062282333334 > -0.67 > 0 > 4 > 0 > 14.18423830537693 > 12.961030883549615 > -2.8036082485460163 > 102.68 > 72.3122 > 1 > 1 > 6.37e+01 g/l > (1'S,2'R,4'S,7'R,9'R,10'R,11'S)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-ene-4',10',11'-triol > 0 > NP0147026 > (1's,2'r,4's,7'r,9'r,10'r,11's)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-ene-4',10',11'-triol $$$$