Mrv1652309122213582D 42 44 0 0 1 0 999 V2000 -1.4045 -16.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -16.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -15.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 -16.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 -16.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4534 -16.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1678 -16.3096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1678 -15.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8823 -16.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5968 -16.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3113 -16.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0257 -16.3096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0257 -15.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7402 -16.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4547 -16.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1691 -16.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8836 -16.3096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8836 -15.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5981 -16.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3126 -16.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0270 -16.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7415 -16.3096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7415 -15.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4560 -16.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1704 -16.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8849 -16.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5994 -16.3096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5994 -15.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3139 -16.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4001 -17.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2071 -17.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6196 -16.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0675 -16.3865 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.4446 -16.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8571 -16.2852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8571 -17.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6640 -17.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7503 -18.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9966 -19.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.4446 -18.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6196 -18.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2071 -19.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 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 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 29 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 36 40 2 0 0 0 0 40 41 1 0 0 0 0 31 41 1 0 0 0 0 41 42 2 0 0 0 0 M END > NP0328469 > NP-MRD > CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C1=CC2=C(S1)C(=O)C1=C(SC=C1)C2=O > InChI=1S/C38H60O2S2/c1-26(2)13-8-14-27(3)15-9-16-28(4)17-10-18-29(5)19-11-20-30(6)21-12-22-31(7)34-25-33-36(40)37-32(23-24-41-37)35(39)38(33)42-34/h23-31H,8-22H2,1-7H3/t27-,28-,29-,30-,31-/m0/s1 > MZLDFXFRRXJKHL-QKUYTOGTSA-N > C38H60O2S2 > 613.02 > 612.40347352 > 2 > 102 > 76.54258609597268 > 0 > 0 > 0 > 0 > 5-[(2S,6S,10S,14S,18S)-6,10,14,18,22-pentamethyltricosan-2-yl]-4,10-dithiatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7),5,11-tetraene-2,8-dione > 14.448386173 > 1 > 3 > 0 > -7.763208327012503 > 34.14 > 183.74569999999997 > 21 > 0 > 5-[(2S,6S,10S,14S,18S)-6,10,14,18,22-pentamethyltricosan-2-yl]-4,10-dithiatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7),5,11-tetraene-2,8-dione > 0 > NP0328469 > 5-[(2s,6s,10s,14s,18s)-6,10,14,18,22-pentamethyltricosan-2-yl]-4,10-dithiatricyclo[7.3.0.0³,⁷]dodeca-1(9),3(7),5,11-tetraene-2,8-dione $$$$