Mrv1533004191521092D 29 32 0 0 0 0 999 V2000 3.4779 2.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2694 2.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4738 1.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8563 1.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6478 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8367 0.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4016 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7047 0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9376 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 0.7865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1143 -0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 -1.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3436 -1.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7968 -0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -1.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 -1.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2505 -1.6306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 -0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0468 -0.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5416 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3665 -0.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7872 0.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7424 1.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2783 0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 1.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7885 -0.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1803 -1.2312 0.0000 O 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 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 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 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 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 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 5 26 1 0 0 0 0 19 26 1 0 0 0 0 26 27 1 0 0 0 0 12 28 1 0 0 0 0 7 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > NP0313694 > NP-MRD > CC(=O)OC1CC23CC(C)(O)C(CCC2C(C)(O)C2CC(O)C(C)(C)C12O)C3O > InChI=1S/C22H36O7/c1-11(23)29-16-9-21-10-19(4,26)12(17(21)25)6-7-13(21)20(5,27)14-8-15(24)18(2,3)22(14,16)28/h12-17,24-28H,6-10H2,1-5H3 > FAQBWQCBGONEEW-UHFFFAOYSA-N > C22H36O7 > 412.523 > 412.246103499 > 6 > 65 > 44.095443243548864 > 1 > 5 > 0 > 0 > 4,6,9,14,16-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-3-yl acetate > 0.66 > -0.7732914089999983 > -2.02 > 0 > 4 > 0 > 13.992915762216104 > 13.067520486867757 > -2.9365822648428974 > 127.45000000000002 > 104.1041 > 2 > 1 > 3.95e+00 g/l > 4,6,9,14,16-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-3-yl acetate > 0 > NP0313694 > 4,6,9,14,16-pentahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-3-yl acetate $$$$