Mrv1652309072217122D 36 40 0 0 0 0 999 V2000 6.4323 0.3114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6202 0.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0884 -0.1741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3399 1.2325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5278 1.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2475 2.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4354 2.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9035 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6232 2.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0914 1.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 1.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8399 0.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1838 0.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -0.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 0.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7475 1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9451 0.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0962 0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5867 1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 2.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8637 2.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 2.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5528 3.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0592 4.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7483 4.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0689 5.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3798 5.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5753 4.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3925 4.4824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2644 3.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4672 2.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1073 2.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 2.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8111 2.5893 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 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 8 14 1 0 0 0 0 14 15 1 0 0 0 0 5 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 11 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 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 30 31 2 0 0 0 0 30 32 1 0 0 0 0 25 32 1 0 0 0 0 22 33 1 0 0 0 0 18 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 10 36 1 0 0 0 0 M END > NP0251875 > NP-MRD > CC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C1CCC(C)C(=O)O1 > InChI=1S/C32H50O4/c1-19-9-11-25(36-28(19)34)20(2)22-13-17-32(8)24-10-12-26-29(4,5)27(35-21(3)33)15-16-30(26,6)23(24)14-18-31(22,32)7/h19-20,22,25-27H,9-18H2,1-8H3 > IPISRXBXIKQSBU-UHFFFAOYSA-N > C32H50O4 > 498.748 > 498.37091009 > 2 > 86 > 60.252497013854864 > 1 > 0 > 0 > 0 > 2,6,6,11,15-pentamethyl-14-[1-(5-methyl-6-oxooxan-2-yl)ethyl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-yl acetate > 6.844809157333332 > 0 > 5 > 0 > -6.738264509368373 > 52.60000000000001 > 142.6378 > 4 > 0 > 2,6,6,11,15-pentamethyl-14-[1-(5-methyl-6-oxooxan-2-yl)ethyl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-yl acetate > 0 > NP0251875 > 3a,6,6,9a,11a-pentamethyl-1-[1-(5-methyl-6-oxooxan-2-yl)ethyl]-1h,2h,3h,4h,5h,5ah,7h,8h,9h,10h,11h-cyclopenta[a]phenanthren-7-yl acetate $$$$