Mrv1652309042209072D 30 33 0 0 1 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 1 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 1 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 2 0 0 0 0 0 0 0 0 0 0.1500 -0.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 0.7865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1143 -0.8201 0.0000 C 0 0 1 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 1 0 0 0 0 0 0 0 0 0 3.6110 -1.1093 0.0000 C 0 0 2 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 2 0 0 0 0 0 0 0 0 0 5.0468 -0.8676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2900 -1.6559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5416 -0.2074 0.0000 C 0 0 1 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 1 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 1 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 5 4 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 1 0 0 0 9 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 15 14 1 6 0 0 0 7 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 16 18 1 1 0 0 0 16 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 5 27 1 0 0 0 0 19 27 1 0 0 0 0 27 28 1 1 0 0 0 12 29 1 0 0 0 0 7 29 1 0 0 0 0 29 30 1 6 0 0 0 M END > NP0190451 > NP-MRD > CC(=O)O[C@H]1C[C@@]23C[C@](C)(O)[C@@H](CC[C@H]2[C@](C)(O)[C@@H]2[C@H](O)[C@@H](O)C(C)(C)[C@@]12O)[C@H]3O > InChI=1S/C22H36O8/c1-10(23)30-13-8-21-9-19(4,27)11(16(21)25)6-7-12(21)20(5,28)15-14(24)17(26)18(2,3)22(13,15)29/h11-17,24-29H,6-9H2,1-5H3/t11-,12-,13-,14-,15-,16+,17+,19-,20-,21+,22+/m0/s1 > VNEMCNXMJWNLDK-PVOMDETOSA-N > C22H36O8 > 428.522 > 428.241018119 > 7 > 66 > 44.69163192620153 > 1 > 6 > 0 > 0 > (1R,3S,4R,6S,7S,8S,9S,10R,13S,14S,16R)-4,6,7,9,14,16-hexahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecan-3-yl acetate > -1.5871158649999995 > 0 > 4 > 0 > 13.528986146611995 > 12.857271119654285 > -2.9365822713321243 > 147.68 > 105.1048 > 2 > 0 > (1R,3S,4R,6S,7S,8S,9S,10R,13S,14S,16R)-4,6,7,9,14,16-hexahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecan-3-yl acetate > 0 > NP0190451 > (1r,3s,4r,6s,7s,8s,9s,10r,13s,14s,16r)-4,6,7,9,14,16-hexahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-3-yl acetate $$$$