Mrv1652309032222522D 28 31 0 0 1 0 999 V2000 4.0322 -0.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6087 -0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 0.1263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3896 -0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1362 0.1751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7927 0.5141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9698 -0.2979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 -1.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -1.8074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9159 -1.4259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3985 0.9106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8493 1.6324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6677 1.7950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5393 2.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2905 1.2466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3779 2.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 0.4220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0427 0.1438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5472 0.7966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3900 0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0824 1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9324 1.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 2.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6901 1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9359 1.0268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1736 1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 0.8633 0.0000 O 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 1 6 0 0 0 4 5 1 0 0 0 0 6 5 1 1 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 0 0 0 0 9 11 2 0 0 0 0 7 12 1 0 0 0 0 3 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 2 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 12 25 1 1 0 0 0 25 26 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 6 0 0 0 M END > NP0182236 > NP-MRD > CC(=O)O[C@@H]1[C@H]2CC[C@H]3C(=C)[C@@H]4C[C@H](O)C(C)(C)[C@@]4(O)[C@@H](O)C[C@@]13C[C@@]2(C)O > InChI=1S/C22H34O6/c1-11-13-6-7-14-18(28-12(2)23)21(13,10-20(14,5)26)9-17(25)22(27)15(11)8-16(24)19(22,3)4/h13-18,24-27H,1,6-10H2,2-5H3/t13-,14+,15-,16-,17-,18+,20+,21-,22-/m0/s1 > RVBLUTOAMOFHON-AVSXDVEWSA-N > C22H34O6 > 394.508 > 394.235538815 > 5 > 62 > 42.87692689845143 > 1 > 4 > 0 > 1 > (1S,3S,4R,6S,8S,10S,13R,14R,16R)-3,4,6,14-tetrahydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecan-16-yl acetate > 0.1527132780000008 > 0 > 4 > 0 > 14.261711559016732 > 13.085998423926313 > -2.9374942004023303 > 107.22000000000001 > 102.2983 > 2 > 1 > (1S,3S,4R,6S,8S,10S,13R,14R,16R)-3,4,6,14-tetrahydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,8}]hexadecan-16-yl acetate > 0 > NP0182236 > (1s,3s,4r,6s,8s,10s,13r,14r,16r)-3,4,6,14-tetrahydroxy-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecan-16-yl acetate $$$$