Mrv1652305312218322D 39 44 0 0 1 0 999 V2000 7.7973 -1.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9311 -2.2716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6640 -1.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2507 -2.4728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7040 -3.1621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0743 -2.4249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6210 -1.7356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4446 -1.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2682 -1.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7215 -2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5451 -2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9984 -2.9704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4518 -3.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8221 -2.9224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6282 -3.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8046 -3.7555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1748 -3.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4343 -4.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3512 -3.0662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9810 -3.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5276 -3.1142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8979 -2.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1573 -3.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3337 -3.8994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8804 -3.2101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4351 -3.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0648 -3.0857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3276 -2.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3319 -3.4645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0022 -3.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2076 -4.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 -2.8845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4540 -3.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6399 -3.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1170 -3.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 -3.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4082 -2.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2223 -2.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1155 -2.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 4 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 1 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 6 0 0 0 16 19 1 0 0 0 0 10 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 4 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 2 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 1 1 0 0 0 29 31 1 6 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 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 1 0 0 0 0 32 38 1 0 0 0 0 32 39 1 1 0 0 0 2 39 1 0 0 0 0 M END > NP0137765 > NP-MRD > [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@]([H])(O)C[C@@]([H])(O)[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@]([H])(C)[C@@]1(CCC(=C)CO1)O2 > InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3/t16-,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1 > ALTRINCJVPIQNK-NHIXJPGBSA-N > C27H40O4 > 428.613 > 428.292659768 > 4 > 71 > 50.67711887998551 > 1 > 2 > 0 > 0 > (1'S,2R,2'S,4'S,7'S,8'R,9'S,12'S,13'R,14'R,16'R)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-ene-14',16'-diol > 3.3540082999999985 > 0 > 6 > 0 > 15.318872264595267 > 14.449436263710375 > -2.750183527683701 > 58.92 > 121.43830000000001 > 0 > 1 > (1'S,2R,2'S,4'S,7'S,8'R,9'S,12'S,13'R,14'R,16'R)-7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-ene-14',16'-diol > 0 > NP0137765 > Neoruscogenin $$$$