Mrv1652309022223282D 31 34 0 0 1 0 999 V2000 -0.9237 8.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6688 7.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 7.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1382 7.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3931 7.0206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2001 6.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 6.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 5.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7100 5.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 5.6229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4560 5.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2011 4.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6059 4.0537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1579 4.6668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9649 4.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2198 3.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6678 3.0975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4524 2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8608 3.2691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4483 2.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0004 1.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 2.2771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4685 1.8646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4685 1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6119 2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3264 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0409 2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3264 1.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 6.4076 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 1 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 1 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 14 13 1 1 0 0 0 8 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 1 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 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 10 31 1 0 0 0 0 5 31 1 0 0 0 0 M END > NP0162958 > NP-MRD > CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O > InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-20,22-23,25-27H,7-10,12-18H2,1-6H3/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1 > BHZSLZOJNSDNOI-SGUBZQMTSA-N > C29H48O2 > 428.701 > 428.365430786 > 1 > 79 > 54.75675856679568 > 1 > 0 > 0 > 0 > (1R,2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-yl acetate > 7.82 > 7.554014441 > -7.45 > 1 > 4 > 0 > -7.00259449911699 > 26.3 > 129.76799999999997 > 7 > 0 > 1.53e-05 g/l > (1R,2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-yl acetate > 1 > NP0162958 > (1r,3ar,5as,7s,9as,9br,11ar)-9a,11a-dimethyl-1-[(2r)-6-methylheptan-2-yl]-1h,2h,3h,3ah,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-yl acetate $$$$