Mrv1652309082222442D 30 33 0 0 1 0 999 V2000 -1.5934 0.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7732 -0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3405 -0.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6942 -1.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5433 -0.6618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2321 -0.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1943 0.5868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5250 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2946 0.6824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9953 1.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2988 -0.1972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0329 -0.6099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0256 0.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7364 0.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4545 0.2277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1653 0.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4618 -0.5973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2729 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7508 -1.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5645 -1.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6672 -2.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3288 -2.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -1.0161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7582 -1.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0474 -2.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0565 -1.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3537 -1.8845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6211 -1.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0639 -1.9617 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 1 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 15 16 1 6 0 0 0 15 17 1 0 0 0 0 17 18 1 6 0 0 0 17 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 17 24 1 0 0 0 0 12 24 1 0 0 0 0 24 25 1 1 0 0 0 25 26 2 0 0 0 0 12 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 5 29 1 0 0 0 0 29 30 2 0 0 0 0 M END > NP0273638 > NP-MRD > CC(=O)OC[C@]1(C)[C@@H](O)CC[C@]2(COC(=O)[C@@]34C[C@@H](C[C@@H](O)[C@@H]23)C(=C)C4=O)[C@@H]1C=O > InChI=1S/C22H28O8/c1-11-13-6-14(25)17-21(10-30-19(28)22(17,7-13)18(11)27)5-4-16(26)20(3,15(21)8-23)9-29-12(2)24/h8,13-17,25-26H,1,4-7,9-10H2,2-3H3/t13-,14-,15-,16+,17+,20+,21+,22+/m1/s1 > VDTCUNMXRDOLHU-YSDPSAINSA-N > C22H28O8 > 420.458 > 420.178417862 > 6 > 58 > 42.413160004910004 > 1 > 2 > 0 > 1 > [(1R,1'S,2S,3R,4S,6'S,7'R,9'S)-2-formyl-4,7'-dihydroxy-3-methyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-3-yl]methyl acetate > -0.10220480799999887 > 0 > 4 > 0 > 14.76197862562556 > 14.071875628558129 > -2.86371055645398 > 127.20000000000002 > 102.99339999999998 > 4 > 1 > (1R,1'S,2S,3R,4S,6'S,7'R,9'S)-2-formyl-4,7'-dihydroxy-3-methyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0^{1,6}]dodecane]-3-ylmethyl acetate > 0 > NP0273638 > (1r,1's,2s,3r,4s,6's,7'r,9's)-2-formyl-4,7'-dihydroxy-3-methyl-10'-methylidene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0¹,⁶]dodecan]-3-ylmethyl acetate $$$$