Mrv1652305312218032D 39 42 0 0 1 0 999 V2000 4.2687 -0.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.5163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4247 -3.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -2.2259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0489 -2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -1.5952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4534 -0.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 -1.3047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1413 -1.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 -1.1595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1351 -0.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1376 -0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6664 0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3823 1.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9111 1.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 1.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4852 -2.4209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.0807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5585 -2.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7655 -1.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2974 -2.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0458 -0.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -1.7404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7050 -2.3711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -3.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9959 -3.9415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7101 -3.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5486 -0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2761 -0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8479 0.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 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 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 1 6 0 0 0 10 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 6 0 0 0 16 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 16 23 1 0 0 0 0 23 24 1 1 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 8 27 1 0 0 0 0 14 27 1 0 0 0 0 27 28 1 6 0 0 0 23 29 1 6 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 10 32 1 0 0 0 0 2 32 1 0 0 0 0 5 32 1 0 0 0 0 32 33 1 1 0 0 0 5 34 1 6 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 2 37 1 1 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 M END > NP0137684 > NP-MRD > [H][C@]1(CC[C@@]2(CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@](C)(CCC(O)=O)[C@@]([H])(CC[C@@]34C)C(C)=C)[C@@]12[H])C(O)=O)C(C)=C > InChI=1S/C30H46O4/c1-18(2)20-10-15-30(26(33)34)17-16-28(6)22(25(20)30)8-9-23-27(5,13-12-24(31)32)21(19(3)4)11-14-29(23,28)7/h20-23,25H,1,3,8-17H2,2,4-7H3,(H,31,32)(H,33,34)/t20-,21-,22+,23+,25+,27-,28+,29+,30-/m0/s1 > OCFWERYSZNWGQD-RGAAFHQASA-N > C30H46O4 > 470.694 > 470.339609961 > 4 > 80 > 55.11311966319008 > 1 > 2 > 0 > 0 > (1R,2R,5S,6S,7R,10R,11R,12R,15S)-6-(2-carboxyethyl)-1,2,6-trimethyl-5,12-bis(prop-1-en-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-15-carboxylic acid > 6.810910018666666 > 1 > 4 > -2 > 5.143317281907648 > 4.532382330862476 > 74.6 > 134.48099999999997 > 6 > 0 > (1R,2R,5S,6S,7R,10R,11R,12R,15S)-6-(2-carboxyethyl)-1,2,6-trimethyl-5,12-bis(prop-1-en-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-15-carboxylic acid > 0 > NP0137684 > 3,4-Secolupa-4(23),20(29)-diene-3,28-dioic acid $$$$