Mrv1533004231522322D 25 29 0 0 0 0 999 V2000 0.8252 4.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1263 3.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6117 3.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9421 3.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2432 2.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 2.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4736 2.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 1.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2363 2.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0946 2.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3217 2.9536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1453 0.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3248 0.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 1.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5072 0.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6381 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7772 0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7584 1.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0455 2.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6299 2.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 2.3595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6812 1.3782 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 1 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 7 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 5 22 1 0 0 0 0 17 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 19 24 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 M END > NP0241859 > NP-MRD > CC(=O)OC1CC2C(C)(CO)CCCC2(C)C2CC3C4CC12CC34C > InChI=1S/C22H34O3/c1-13(24)25-18-9-16-19(2,12-23)6-5-7-20(16,3)17-8-14-15-10-22(17,18)11-21(14,15)4/h14-18,23H,5-12H2,1-4H3 > TVYLISALUXYSMF-UHFFFAOYSA-N > C22H34O3 > 346.511 > 346.250794955 > 2 > 59 > 40.350163302644916 > 1 > 1 > 0 > 1 > 5-(hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.0¹,¹⁰.0⁴,⁹.0¹²,¹⁴]hexadecan-2-yl acetate > 3.06 > 3.1275301466666674 > -5.20 > 0 > 5 > 0 > 18.592292901963418 > -1.2275303577832908 > 46.53 > 96.33009999999997 > 3 > 1 > 2.17e-03 g/l > 5-(hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.0¹,¹⁰.0⁴,⁹.0¹²,¹⁴]hexadecan-2-yl acetate > 0 > NP0241859 > 5-(hydroxymethyl)-5,9,13-trimethylpentacyclo[11.2.1.0¹,¹⁰.0⁴,⁹.0¹²,¹⁴]hexadecan-2-yl acetate $$$$