Mrv1652309092222352D 38 42 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 2 0 0 0 0 0 0 0 0 0 3.6252 -1.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 -2.8825 0.0000 C 0 0 0 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 0 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 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 6 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 15 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 14 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 10 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 9 32 1 0 0 0 0 32 33 2 0 0 0 0 34 5 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 M END > NP0290079 > NP-MRD > C[C@H](C[C@H](OC(C)=O)[C@H]1OC1(C)C)C1=C2C[C@H](O)C3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@]3(C)[C@@]2(C)CC1=O > InChI=1S/C32H48O6/c1-17(14-22(37-18(2)33)27-29(5,6)38-27)25-19-15-20(34)26-30(7)12-11-24(36)28(3,4)23(30)10-13-31(26,8)32(19,9)16-21(25)35/h17,20,22-23,26-27,34H,10-16H2,1-9H3/t17-,20+,22+,23?,26?,27-,30+,31+,32+/m1/s1 > KOOCQNIPRJEMDH-HAYLINCASA-N > C32H48O6 > 528.73 > 528.345089266 > 5 > 86 > 59.79393178924592 > 1 > 1 > 0 > 0 > (1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(2S,10S,11R,17S)-17-hydroxy-2,6,6,10,11-pentamethyl-5,13-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-14-en-14-yl]butyl acetate > 4.681638633333333 > 1 > 5 > 0 > 19.936957168780395 > -0.31511482587944595 > 93.2 > 145.3586 > 6 > 0 > (1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(2S,10S,11R,17S)-17-hydroxy-2,6,6,10,11-pentamethyl-5,13-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-14-en-14-yl]butyl acetate > 0 > NP0290079 > (1s,3r)-3-[(3ar,3bs,9as,10s)-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2,7-dioxo-3h,4h,5h,5ah,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-[(2r)-3,3-dimethyloxiran-2-yl]butyl acetate $$$$