Mrv1652309122211232D 37 41 0 0 1 0 999 V2000 -3.0459 -1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9178 -0.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 -1.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9051 -1.4291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3987 -2.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 -1.9676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7294 -1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9249 -2.6189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 -2.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2812 -1.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 -2.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 -2.8825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1858 -3.0277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9055 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7176 -2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5297 -2.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -3.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6221 -3.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2782 -3.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -4.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 -4.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4661 -3.8037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9343 -4.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1221 -4.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8418 -3.5132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3100 -4.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 -3.3680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9702 -4.1909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 -3.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6955 -3.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0804 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 -0.6649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7071 0.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0571 -0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6618 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7913 -0.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 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 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 13 26 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 10 28 1 0 0 0 0 28 29 1 6 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 9 31 1 0 0 0 0 31 32 2 0 0 0 0 33 5 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 M END > NP0327127 > NP-MRD > C[C@H](C[C@H](OC(C)=O)[C@H]1OC1(C)C)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O > InChI=1S/C32H46O5/c1-18(16-22(36-19(2)33)27-29(5,6)37-27)26-20-10-11-24-30(7)14-13-25(35)28(3,4)23(30)12-15-31(24,8)32(20,9)17-21(26)34/h10-11,18,22-24,27H,12-17H2,1-9H3/t18-,22+,23+,24+,27-,30+,31+,32+/m1/s1 > ARRUGSBFWQZLTR-QBRJBUCOSA-N > C32H46O5 > 510.715 > 510.334524581 > 4 > 83 > 58.422580808057944 > 0 > 0 > 0 > 0 > (1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(1S,2S,7R,10S,11R)-2,6,6,10,11-pentamethyl-5,13-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-14,16-dien-14-yl]butyl acetate > 5.628481773666667 > 1 > 5 > 0 > 19.744592749284667 > -4.179374908370791 > 72.97 > 144.8827 > 6 > 0 > (1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(1S,2S,7R,10S,11R)-2,6,6,10,11-pentamethyl-5,13-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-14,16-dien-14-yl]butyl acetate > 0 > NP0327127 > (1s,3r)-3-[(3ar,3bs,5ar,9as,9bs)-3a,3b,6,6,9a-pentamethyl-2,7-dioxo-3h,4h,5h,5ah,8h,9h,9bh-cyclopenta[a]phenanthren-1-yl]-1-[(2r)-3,3-dimethyloxiran-2-yl]butyl acetate $$$$