Mrv1533004161521362D 23 25 0 0 0 0 999 V2000 4.9748 2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6506 1.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2904 1.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5839 0.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4046 0.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4526 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9317 -1.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4148 -1.7819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1607 -1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3462 -1.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7065 -0.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0134 -0.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0544 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7884 0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4815 0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 0.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9188 0.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8236 1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 1.6910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 2.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4405 -0.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2626 -0.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8424 -1.0985 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 3 4 1 4 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 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 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 15 21 1 0 0 0 0 11 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 M END > NP0252133 > NP-MRD > CC1=CC(O)CC(=C)CCC2CCC3=C(C(=O)C1C3O)C2(C)C > InChI=1S/C20H28O3/c1-11-5-6-13-7-8-15-17(20(13,3)4)19(23)16(18(15)22)12(2)10-14(21)9-11/h10,13-14,16,18,21-22H,1,5-9H2,2-4H3 > PYHGXJSOVZVBAF-UHFFFAOYSA-N > C20H28O3 > 316.441 > 316.203844762 > 3 > 51 > 35.52740773340571 > 1 > 2 > 0 > 1 > 6,16-dihydroxy-4,15,15-trimethyl-8-methylidenetricyclo[9.3.1.1³,¹⁴]hexadeca-1(14),4-dien-2-one > 2.39 > 2.797059517333334 > -3.25 > 0 > 3 > 0 > 15.218094968373773 > 13.20218242370029 > -1.3574292660587748 > 57.53 > 92.72989999999999 > 0 > 1 > 1.76e-01 g/l > 6,16-dihydroxy-4,15,15-trimethyl-8-methylidenetricyclo[9.3.1.1³,¹⁴]hexadeca-1(14),4-dien-2-one > 0 > NP0252133 > 6,16-dihydroxy-4,15,15-trimethyl-8-methylidenetricyclo[9.3.1.1³,¹⁴]hexadeca-1(14),4-dien-2-one $$$$