Mrv1652309032222472D 24 27 0 0 1 0 999 V2000 3.9220 -1.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2475 -1.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4989 -1.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6471 0.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7212 1.0193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3584 0.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1308 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2661 1.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0386 1.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 2.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8566 1.8331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0523 2.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 2.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4811 2.3972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0061 1.7227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1923 1.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2373 0.9307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6241 0.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0006 0.6177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0498 -0.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 1.4425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9482 0.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 1.6383 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 6 5 1 1 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 2 0 0 0 0 11 12 1 0 0 0 0 6 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 15 14 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 22 24 1 1 0 0 0 M END > NP0182157 > NP-MRD > CC(=O)OC[C@]12CCC(C)=C[C@@]1(C)O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]11CO1 > InChI=1S/C18H26O6/c1-10-5-6-17(8-22-11(2)19)15(3,7-10)24-14-12(20)13(21)16(17,4)18(14)9-23-18/h7,12-14,20-21H,5-6,8-9H2,1-4H3/t12-,13-,14-,15-,16-,17-,18+/m1/s1 > MWLBIENRNGAHPI-TVLLWILJSA-N > C18H26O6 > 338.4 > 338.172938557 > 5 > 50 > 34.88493929243623 > 1 > 2 > 0 > 1 > [(1'S,2S,2'R,7'R,9'R,10'R,11'S)-10',11'-dihydroxy-1',5',7'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2'-yl]methyl acetate > 0.21645086333333327 > 0 > 4 > 0 > 14.50466711876949 > 12.975011379557067 > -3.4280154820040014 > 88.52000000000001 > 84.58639999999998 > 3 > 1 > (1'S,2S,2'R,7'R,9'R,10'R,11'S)-10',11'-dihydroxy-1',5',7'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-2'-ylmethyl acetate > 0 > NP0182157 > (1's,2s,2'r,7'r,9'r,10'r,11's)-10',11'-dihydroxy-1',5',7'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2'-ylmethyl acetate $$$$