Marvin 07151316192D 28 32 0 0 0 0 999 V2000 -4.4117 -16.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4117 -17.4795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6978 -17.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6978 -16.2346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9839 -16.6524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9828 -17.4795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2699 -17.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5534 -17.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -16.2355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5589 -16.6529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5509 -15.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2712 -15.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8414 -16.2425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0607 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4256 -15.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8377 -15.4205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0589 -15.1705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1906 -14.5238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4988 -14.0884 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0278 -14.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1274 -17.8943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9912 -15.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9871 -18.3026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2768 -17.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 -15.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -17.0659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9759 -14.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7645 -15.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 13 1 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 2 3 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 16 17 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 16 20 1 1 0 0 0 3 6 1 0 0 0 0 2 21 1 1 0 0 0 5 4 1 0 0 0 0 5 22 1 1 0 0 0 5 6 1 0 0 0 0 6 23 1 6 0 0 0 9 24 1 6 0 0 0 9 12 1 0 0 0 0 10 25 1 1 0 0 0 10 13 1 0 0 0 0 13 26 1 6 0 0 0 16 11 1 0 0 0 0 18 27 1 1 0 0 0 11 12 1 0 0 0 0 17 28 1 6 0 0 0 M END > CHEBI:66330 > wrightiamine A > A steroid alkaloid isolated from Wrightia javanica and has been shown to exhibit antineoplastic activity. > 3 > (3S,3aS,5aS,5bR,7aS,9S,11aS,11bS,13aR)-3,11a-dimethyl-3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13-hexadecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]pyrrol-9-amine > C21H34N2 > 314.50810 > 314.27220 > 0 > [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]45C=N[C@@H](C)[C@@]4([H])CC[C@@]35[H])[C@@]1(C)CC[C@H](N)C2 > InChI=1S/C21H34N2/c1-13-17-5-6-19-16-4-3-14-11-15(22)7-9-20(14,2)18(16)8-10-21(17,19)12-23-13/h12-19H,3-11,22H2,1-2H3/t13-,14-,15-,16+,17+,18-,19-,20-,21-/m0/s1 > OWJXANQNZAVDIW-XLVUHOLYSA-N > 9438722 > 12808258 $$$$