Mrv1652309052203412D 44 50 0 0 1 0 999 V2000 -4.2139 -2.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7107 -1.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5295 -2.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0263 -1.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7043 -0.6600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2010 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7634 -0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8931 0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8790 0.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0602 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5634 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8855 -0.5591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0666 -0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3887 -1.2178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5699 -1.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2478 -0.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 -0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 0.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2882 0.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7914 -0.0547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1134 -0.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 -0.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1952 -0.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3659 -1.4948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6304 -0.3400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1783 0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3774 0.7028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2106 1.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0485 1.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2571 0.2876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0671 0.0569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8592 0.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6496 0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4468 0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6614 -0.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0788 -0.9522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7553 -1.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7312 -1.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2053 -2.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9094 -1.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2817 -0.7397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7029 -1.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 -1.1391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3421 -1.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 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 5 12 1 0 0 0 0 12 13 1 6 0 0 0 12 14 1 0 0 0 0 2 14 1 0 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 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 17 22 1 0 0 0 0 20 23 1 6 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 20 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 30 29 1 1 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 1 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 6 0 0 0 36 38 1 1 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 36 41 1 0 0 0 0 31 41 1 0 0 0 0 41 42 1 1 0 0 0 42 43 1 0 0 0 0 25 43 1 0 0 0 0 43 44 1 6 0 0 0 M END > NP0205711 > NP-MRD > CC1(C)CCC[C@@]2(C)[C@H](CCC3=CC[C@]4(CC3)[C@H]3C[C@@]5([C@@H](O)C[C@H]6[C@@](C)(CCC[C@@]6(C)C(O)=O)[C@@H]5CC3)C4=O)C(=C)CC[C@H]12 > InChI=1S/C40H60O4/c1-25-9-13-29-35(2,3)17-7-18-36(29,4)28(25)12-10-26-15-21-39(22-16-26)27-11-14-30-37(5)19-8-20-38(6,34(43)44)31(37)23-32(41)40(30,24-27)33(39)42/h15,27-32,41H,1,7-14,16-24H2,2-6H3,(H,43,44)/t27-,28-,29-,30+,31+,32+,36+,37+,38-,39+,40-/m1/s1 > BYZNBEVZWXOYJE-KIQQBUPUSA-N > C40H60O4 > 604.916 > 604.449160412 > 4 > 104 > 73.07964849030067 > 0 > 2 > 0 > 0 > (1R,1'R,2'S,4'S,5'R,9'S,10'S,13'R)-4-{2-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]ethyl}-2'-hydroxy-5',9'-dimethyl-15'-oxospiro[cyclohexane-1,14'-tetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan]-3-ene-5'-carboxylic acid > 9.137424763666667 > 0 > 7 > -1 > 14.51420174792445 > 4.409523527677671 > -3.011963676302469 > 74.60000000000001 > 176.39540000000002 > 4 > 0 > (1R,1'R,2'S,4'S,5'R,9'S,10'S,13'R)-4-{2-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethyl}-2'-hydroxy-5',9'-dimethyl-15'-oxospiro[cyclohexane-1,14'-tetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan]-3-ene-5'-carboxylic acid > 0 > NP0205711 > (1r,1'r,2's,4's,5'r,9's,10's,13'r)-4-{2-[(1r,4ar,8ar)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-2'-hydroxy-5',9'-dimethyl-15'-oxospiro[cyclohexane-1,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan]-3-ene-5'-carboxylic acid $$$$