Mrv1652309092202322D 44 49 0 0 1 0 999 V2000 0.0021 0.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3651 -0.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0037 0.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7856 -1.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 -1.9676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9249 -2.6189 0.0000 C 0 0 2 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 1.3784 -3.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 -3.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 -2.5921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3895 -1.8497 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 2 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 4.9942 -4.7234 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 4.4661 -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 1 0 0 0 0 0 0 0 0 0 2.5903 -4.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8706 -5.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3388 -6.3265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6827 -5.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9630 -6.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7752 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0555 -7.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5236 -8.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7115 -8.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4312 -7.2476 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 -0.3880 -2.1412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 -1.6188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7743 -1.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 -0.7939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7552 -0.4268 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 16 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 32 37 1 0 0 0 0 27 38 1 0 0 0 0 10 38 1 0 0 0 0 15 38 1 0 0 0 0 38 39 1 6 0 0 0 6 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 1 0 0 0 41 43 1 0 0 0 0 2 43 1 0 0 0 0 43 44 1 6 0 0 0 M END > NP0276425 > NP-MRD > C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4C[C@@H](OC(=O)CC4=CC=CC=C4)[C@@]3(C)C1=CC[C@H]2[C@H]1COC(C)(C)[C@@H](O)[C@H](O)C1 > InChI=1S/C38H52O6/c1-34(2)29-21-31(44-32(41)19-23-11-9-8-10-12-23)38(7)27-14-13-25(24-20-26(39)33(42)35(3,4)43-22-24)36(27,5)17-15-28(38)37(29,6)18-16-30(34)40/h8-12,14,16,18,24-26,28-29,31,33,39,42H,13,15,17,19-22H2,1-7H3/t24-,25+,26-,28-,29+,31-,33+,36+,37-,38+/m1/s1 > XNNYLPXZZMDVMN-GINCFMRBSA-N > C38H52O6 > 604.828 > 604.376389394 > 5 > 96 > 69.01954006543178 > 0 > 2 > 0 > 0 > (1R,2R,7R,9R,10R,14S,15S)-14-[(3S,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-9-yl 2-phenylacetate > 5.943971972 > 0 > 6 > 0 > 14.982207119559156 > 13.045841628388839 > -3.190159306877047 > 93.06 > 172.52189999999993 > 5 > 0 > (1R,2R,7R,9R,10R,14S,15S)-14-[(3S,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-2,6,6,10,15-pentamethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,11-dien-9-yl phenylacetate > 0 > NP0276425 > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(3s,5r,6s)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,4h,5h,5ah,9bh,10h,11h-cyclopenta[a]phenanthren-4-yl 2-phenylacetate $$$$