Mrv1652309082209542D 35 38 0 0 1 0 999 V2000 8.0466 -1.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5148 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7951 0.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7026 -0.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -0.2182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3587 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8269 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5466 -0.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4511 0.5577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2632 0.7029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5754 1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8557 2.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 1.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0148 0.1221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7345 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3905 -0.1684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0307 -0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -0.1416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0596 -0.7929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4083 -0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7109 -1.2992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5533 -1.4442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8642 -2.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7703 -1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 -1.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0939 -2.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8985 -1.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0195 1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 0.6076 0.0000 C 0 0 1 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 1 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 5 11 1 0 0 0 0 11 12 1 6 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 17 16 1 1 0 0 0 7 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 6 0 0 0 23 25 1 6 0 0 0 23 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 22 33 1 0 0 0 0 33 34 1 0 0 0 0 35 34 1 1 0 0 0 16 35 1 0 0 0 0 20 35 1 0 0 0 0 M END > NP0264393 > NP-MRD > CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2C3=CC(=O)C4=C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O > InChI=1S/C29H44O6/c1-16(2)7-10-26(33)29(6,34)25-9-8-19-18-13-22(31)21-14-23(32)24(35-17(3)30)15-28(21,5)20(18)11-12-27(19,25)4/h13-14,16,19-20,23-26,32-34H,7-12,15H2,1-6H3/t19-,20-,23-,24-,25-,26+,27-,28+,29+/m0/s1 > RMENLPCGRPPGAV-WKNPKPNOSA-N > C29H44O6 > 488.665 > 488.313789137 > 5 > 79 > 56.20396016937483 > 1 > 3 > 0 > 0 > (1S,2R,4S,5S,11R,14S,15S)-14-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-5-hydroxy-2,15-dimethyl-8-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-6,9-dien-4-yl acetate > 3.531789765666667 > 1 > 4 > 0 > 13.956718635559103 > 13.36676359594371 > -3.235002855398476 > 104.06 > 135.539 > 7 > 1 > (1S,2R,4S,5S,11R,14S,15S)-14-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-5-hydroxy-2,15-dimethyl-8-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-6,9-dien-4-yl acetate > 0 > NP0264393 > (1s,3ar,7s,8s,9ar,9bs,11as)-1-[(2r,3r)-2,3-dihydroxy-6-methylheptan-2-yl]-7-hydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,3ah,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-8-yl acetate $$$$