Mrv1652309082208192D 45 50 0 0 1 0 999 V2000 3.6020 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9520 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1105 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6907 1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1058 1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -3.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -3.8743 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 16 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 14 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 1 0 0 0 26 24 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 6 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 26 33 1 0 0 0 0 33 34 1 1 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 24 37 1 0 0 0 0 19 37 1 0 0 0 0 37 38 1 6 0 0 0 16 39 1 0 0 0 0 11 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 5 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 3 44 1 0 0 0 0 44 45 1 0 0 0 0 M END > NP0263213 > NP-MRD > COC1=CC(\C=C\C(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]3(O)[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]43C)C2(C)C)=CC=C1O > InChI=1S/C40H58O5/c1-25-14-18-36(5)22-23-39(8)38(7)20-15-30-35(3,4)32(45-33(42)13-11-27-10-12-28(41)29(24-27)44-9)17-19-37(30,6)31(38)16-21-40(39,43)34(36)26(25)2/h10-13,16,21,24-26,30-32,34,41,43H,14-15,17-20,22-23H2,1-9H3/b13-11+/t25-,26+,30+,31-,32+,34-,36-,37+,38-,39+,40+/m1/s1 > RJCRFHJGGDYWLJ-BOVMCGLUSA-N > C40H58O5 > 618.899 > 618.428424968 > 4 > 103 > 74.19786143851601 > 0 > 2 > 0 > 0 > (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,12bS,14aR,14bS)-12b-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,14a,14b-icosahydropicen-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 9.080986191000001 > 0 > 6 > 0 > 9.867760967596245 > 0.48080735964228205 > 75.99000000000001 > 181.55630000000002 > 5 > 0 > (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,12bS,14aR,14bS)-12b-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicen-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate > 0 > NP0263213 > (3s,4ar,6ar,6bs,8ar,11r,12s,12ar,12bs,14ar,14bs)-12b-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicen-3-yl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate $$$$