CDK 1018121544 34 37 0 0 0 0 0 0 0 0999 V2000 13.3382 -5.1016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8898 -5.8134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1528 -5.3032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6596 -5.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5860 -6.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0546 -5.7845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2525 -5.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2608 -6.1960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8780 -4.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4369 -6.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1651 -6.0807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9155 -6.2042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9432 -4.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1039 -4.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7946 -4.7684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7173 -6.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9314 -6.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9113 -5.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5778 -5.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2407 -6.5991 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5845 -5.0523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9266 -4.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4702 -6.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9222 -6.5868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1579 -7.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7823 -3.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5372 -6.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2448 -7.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2264 -4.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5805 -5.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8316 -5.6981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5532 -5.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2685 -4.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3722 -7.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 9 2 0 0 0 0 8 17 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 1 1 0 0 0 0 14 13 1 0 0 0 0 15 3 1 0 0 0 0 16 6 1 0 0 0 0 17 16 1 0 0 0 0 18 19 1 0 0 0 0 19 7 1 0 0 0 0 12 20 1 1 0 0 0 21 15 1 0 0 0 0 1 22 1 1 0 0 0 2 23 1 6 0 0 0 11 24 1 6 0 0 0 25 5 1 0 0 0 0 15 26 1 6 0 0 0 27 20 1 0 0 0 0 28 20 1 0 0 0 0 29 21 1 0 0 0 0 30 21 1 0 0 0 0 3 31 1 6 0 0 0 8 32 1 6 0 0 0 6 33 1 1 0 0 0 11 10 1 0 0 0 0 14 4 2 0 0 0 0 7 8 1 0 0 0 0 12 18 1 0 0 0 0 5 34 1 0 0 0 0 M END > CHEBI:70425 > buxaminol A > A natural product found in Buxus natalensis. > 2 > C28H48N2O > 428.69350 > 428.37666 > 0 > [H][C@@]12CC[C@]3([H])C(=CC[C@]4(C)[C@]([H])([C@H](O)C[C@@]34C)[C@H](C)N(C)C)C=C1CC[C@H](N(C)C)C2(C)C > InChI=1S/C28H48N2O/c1-18(29(6)7)25-23(31)17-28(5)22-12-11-21-19(16-20(22)14-15-27(25,28)4)10-13-24(30(8)9)26(21,2)3/h14,16,18,21-25,31H,10-13,15,17H2,1-9H3/t18-,21+,22+,23+,24-,25-,27+,28-/m0/s1 > MALAIGCWTXNVKA-DVSVOVCNSA-N > 20954721 $$$$