Mrv1652309122214062D 21 23 0 0 1 0 999 V2000 5.4577 -0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8028 0.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6243 0.7271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3263 1.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5048 1.2489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2167 0.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 0.2191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3239 -0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5037 0.8520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7195 1.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9594 1.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 1.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0800 1.9561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2622 2.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6673 1.4935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7431 0.6719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9853 0.3459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8036 -0.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 0.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 1.6752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5365 2.4330 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 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 5 13 1 0 0 0 0 13 14 1 1 0 0 0 15 14 1 1 0 0 0 16 15 1 6 0 0 0 7 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 1 0 0 0 M END > NP0328542 > NP-MRD > C[C@@H]1C[C@@H](O)[C@@H]2[C@@H]1C[C@H]1[C@H](C[C@]2(C)OC1(C)C)OC(C)=O > InChI=1S/C17H28O4/c1-9-6-13(19)15-11(9)7-12-14(20-10(2)18)8-17(15,5)21-16(12,3)4/h9,11-15,19H,6-8H2,1-5H3/t9-,11-,12+,13-,14+,15+,17+/m1/s1 > XCGZLOPHNCJNRF-OXCLCMQMSA-N > C17H28O4 > 296.407 > 296.198759382 > 3 > 49 > 33.08348127183632 > 1 > 1 > 0 > 1 > (1S,2S,3R,5R,6R,8S,12S)-3-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate > 1.3908498569999987 > 0 > 3 > 0 > 14.84238451075467 > -2.8677410149959073 > 55.760000000000005 > 79.07879999999999 > 2 > 1 > (1S,2S,3R,5R,6R,8S,12S)-3-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0^{2,6}]dodecan-12-yl acetate > 0 > NP0328542 > (1s,2s,3r,5r,6r,8s,12s)-3-hydroxy-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0²,⁶]dodecan-12-yl acetate $$$$