Mrv1652309092222312D 29 32 0 0 1 0 999 V2000 -1.5432 -0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 -0.7873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2259 -1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5179 -2.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6431 -1.2865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2807 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1935 -0.1020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4844 0.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2827 0.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5305 0.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3584 -0.7620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1235 -1.1137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2146 -1.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5502 -2.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -2.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1435 -2.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3068 -0.3093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7018 0.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 1.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6732 1.2995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 -0.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5168 -1.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6197 -2.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3408 -1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 -1.6746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5453 -2.4790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1503 -3.0399 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 1 0 0 0 7 6 1 1 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 5 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 5 15 1 0 0 0 0 15 16 2 0 0 0 0 12 17 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 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 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 12 27 1 0 0 0 0 27 28 1 1 0 0 0 28 29 1 0 0 0 0 M END > NP0290036 > NP-MRD > CC(=O)O[C@H]1CCC(C)(C)[C@@H](CO)[C@@]11COC(=O)[C@@]23C[C@@H](C[C@H](O)[C@@H]12)C(=C)C3=O > InChI=1S/C22H30O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)28-10-22(17)15(9-23)20(3,4)6-5-16(22)29-12(2)24/h13-17,23,25H,1,5-10H2,2-4H3/t13-,14+,15-,16+,17-,21+,22+/m1/s1 > PFPNLISKAPWUFU-MVVUPFSZSA-N > C22H30O7 > 406.475 > 406.199153306 > 5 > 59 > 41.846056643709694 > 1 > 2 > 0 > 1 > (1R,1'S,2R,6S,6'S,7'S,9'S)-7'-hydroxy-2-(hydroxymethyl)-3,3-dimethyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-6-yl acetate > 1.042732297333334 > 0 > 4 > 0 > 15.529573523255994 > 14.746229515593374 > -2.6115526433616383 > 110.13000000000001 > 102.3045 > 3 > 1 > (1R,1'S,2R,6S,6'S,7'S,9'S)-7'-hydroxy-2-(hydroxymethyl)-3,3-dimethyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-6-yl acetate > 0 > NP0290036 > (1r,1's,2r,6s,6's,7's,9's)-7'-hydroxy-2-(hydroxymethyl)-3,3-dimethyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecan]-6-yl acetate $$$$