Mrv1652309092206582D 25 29 0 0 1 0 999 V2000 5.9395 -1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1959 -1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1336 -2.3396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5147 -1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7711 -1.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0898 -0.9437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7499 -1.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6663 -0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 0.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6442 0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0677 0.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8516 0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2905 -0.7395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7180 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9146 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6352 -0.3569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1775 0.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3832 0.6754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1981 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 0.2771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7895 -0.0863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4430 -0.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5523 0.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1868 -0.7131 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 4 5 1 0 0 0 0 6 5 1 1 0 0 0 6 7 1 6 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 11 13 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 18 17 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 20 1 1 0 0 0 16 21 1 0 0 0 0 11 21 1 0 0 0 0 18 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 22 24 1 1 0 0 0 22 25 1 0 0 0 0 16 25 1 0 0 0 0 M END > NP0279555 > NP-MRD > CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]43CO3)CC[C@H]12 > InChI=1S/C22H34O3/c1-15(23)24-13-19(2)8-4-9-20(3)17(19)7-10-21-11-16(5-6-18(20)21)22(12-21)14-25-22/h16-18H,4-14H2,1-3H3/t16-,17-,18+,19+,20-,21+,22+/m1/s1 > XTAIGPHIYNUEQT-YDIRQPIJSA-N > C22H34O3 > 346.511 > 346.250794955 > 2 > 59 > 40.40487393025667 > 1 > 0 > 0 > 1 > [(1'S,2R,4'S,5'R,9'S,10'R,13'R)-5',9'-dimethylspiro[oxirane-2,14'-tetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane]-5'-yl]methyl acetate > 3.9237246106666674 > 0 > 5 > 0 > -4.203984149010955 > 38.83 > 96.51079999999999 > 3 > 1 > (1'S,2R,4'S,5'R,9'S,10'R,13'R)-5',9'-dimethylspiro[oxirane-2,14'-tetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane]-5'-ylmethyl acetate > 1 > NP0279555 > (1's,2r,4's,5'r,9's,10'r,13'r)-5',9'-dimethylspiro[oxirane-2,14'-tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan]-5'-ylmethyl acetate $$$$