Mrv1652309042220302D 24 27 0 0 1 0 999 V2000 0.0435 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8566 -0.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4794 0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3435 1.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2893 0.0832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5946 0.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4039 1.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9582 0.4175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7638 0.5954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4487 1.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4599 1.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1914 0.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8876 1.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2267 -0.1676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3206 -0.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0719 -0.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 -0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7095 -0.3691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4700 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8883 -0.5708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6431 -1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7976 -1.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 -0.9152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8140 -0.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 9 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 8 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 5 20 1 0 0 0 0 20 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 6 0 0 0 5 24 1 6 0 0 0 M END > NP0199806 > NP-MRD > CC(=O)O[C@@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)C(=O)C4=C > InChI=1S/C21H30O3/c1-13-15-6-7-17-19(3)9-5-10-20(4,24-14(2)22)16(19)8-11-21(17,12-15)18(13)23/h15-17H,1,5-12H2,2-4H3/t15-,16+,17+,19-,20+,21-/m1/s1 > CHWCRMIZGKCXMG-CYSNJDBQSA-N > C21H30O3 > 330.468 > 330.219494826 > 2 > 54 > 37.751003280076915 > 1 > 0 > 0 > 1 > (1R,4S,5S,9S,10S,13R)-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-5-yl acetate > 4.2866602333333335 > 0 > 4 > 0 > -5.10170223624978 > 43.370000000000005 > 92.74989999999998 > 2 > 1 > (1R,4S,5S,9S,10S,13R)-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-5-yl acetate > 0 > NP0199806 > (1r,4s,5s,9s,10s,13r)-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl acetate $$$$