Mrv1652309042215022D 26 27 0 0 1 0 999 V2000 8.6407 1.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8517 1.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6662 0.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2484 1.5860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4594 1.3448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2755 0.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6598 -0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0842 -0.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 -1.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 -0.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4374 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4655 -0.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8745 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0774 0.6726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1957 1.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8714 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0744 1.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8684 1.9204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 2.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7454 0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0512 -0.1811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3252 -0.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0103 -1.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7035 -1.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2763 -1.3816 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 6 0 0 0 5 6 1 0 0 0 0 7 6 1 4 0 0 0 7 8 2 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 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 17 16 1 4 0 0 0 17 18 2 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 1 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 M END > NP0195214 > NP-MRD > CC(C)[C@@]1(O)CC[C@@]2(C)CC=C(C)[C@@H](CC=C(C)C(=O)CC12)OC(C)=O > InChI=1S/C22H34O4/c1-14(2)22(25)12-11-21(6)10-9-16(4)19(26-17(5)23)8-7-15(3)18(24)13-20(21)22/h7,9,14,19-20,25H,8,10-13H2,1-6H3/t19-,20?,21-,22+/m1/s1 > LLFWQKZULMFCLD-XCSKNGGISA-N > C22H34O4 > 362.51 > 362.245709575 > 3 > 60 > 40.83916316898919 > 1 > 1 > 0 > 1 > (1S,3aS,7R)-1-hydroxy-3a,6,10-trimethyl-11-oxo-1-(propan-2-yl)-1H,2H,3H,3aH,4H,7H,8H,11H,12H,12aH-cyclopenta[11]annulen-7-yl acetate > 3.9104006946666674 > 0 > 2 > 0 > 18.629692554401707 > 14.335764924495713 > -3.0892870221702813 > 63.60000000000001 > 104.3658 > 3 > 1 > (1S,3aS,7R)-1-hydroxy-1-isopropyl-3a,6,10-trimethyl-11-oxo-2H,3H,4H,7H,8H,12H,12aH-cyclopenta[11]annulen-7-yl acetate > 0 > NP0195214 > (1s,3as,7r)-1-hydroxy-1-isopropyl-3a,6,10-trimethyl-11-oxo-2h,3h,4h,7h,8h,12h,12ah-cyclopenta[11]annulen-7-yl acetate $$$$