Mrv1652309022219432D 22 25 0 0 1 0 999 V2000 -1.5987 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7854 -0.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1637 -0.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3012 -1.6618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6469 -0.4671 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1725 0.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 0.5335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1586 1.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0038 1.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2474 0.1857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0661 -0.0115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8257 0.7777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6242 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4294 0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6765 -0.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1184 -0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8136 -1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8017 -1.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3132 -0.7987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7596 -1.4229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0191 -2.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9506 -1.2543 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 6 0 0 0 7 6 1 6 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 6 0 0 0 5 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 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 16 18 1 0 0 0 0 19 16 1 6 0 0 0 11 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 5 22 1 0 0 0 0 M END > NP0159892 > NP-MRD > CC1(C)CCC[C@]2(C)[C@H]3CC[C@H]4C[C@]3(C[C@@H](O)[C@@H]12)C(=O)C4=C > InChI=1S/C20H30O2/c1-12-13-6-7-15-19(4)9-5-8-18(2,3)16(19)14(21)11-20(15,10-13)17(12)22/h13-16,21H,1,5-11H2,2-4H3/t13-,14+,15+,16-,19+,20+/m0/s1 > QNWYJYRNHBMZCC-CCOVMOLUSA-N > C20H30O2 > 302.458 > 302.224580206 > 2 > 52 > 35.33937342433276 > 1 > 1 > 0 > 1 > (1R,3R,4S,9R,10R,13S)-3-hydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-15-one > 3.32 > 4.152024371000001 > -5.15 > 0 > 4 > 0 > 14.880890951283135 > -2.8508982979087554 > 37.3 > 87.98389999999999 > 0 > 1 > 2.16e-03 g/l > (1R,3R,4S,9R,10R,13S)-3-hydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecan-15-one > 1 > NP0159892 > (1r,3r,4s,9r,10r,13s)-3-hydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-one $$$$