Mrv1652309062207292D 26 28 0 0 1 0 999 V2000 5.6524 0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1502 0.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3322 0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 1.2765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2316 0.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5334 1.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3408 2.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5184 2.5745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2027 1.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4405 1.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 1.8123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3625 2.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 2.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 3.1371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8069 2.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2797 3.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3475 1.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4147 1.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0509 1.2765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7036 0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5111 0.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6783 3.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4405 3.6524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4405 4.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 3.3367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7860 3.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 13 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 11 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 1 0 0 0 12 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 8 25 1 0 0 0 0 25 26 1 6 0 0 0 M END > NP0226447 > NP-MRD > COC[C@@]1(O)CC[C@H]2[C@@H](C)[C@@H](O)CC3=C(C(C)C)C(=O)[C@](C)(O)[C@@H]3\C=C1/2 > InChI=1S/C21H32O5/c1-11(2)18-14-8-17(22)12(3)13-6-7-21(25,10-26-5)16(13)9-15(14)20(4,24)19(18)23/h9,11-13,15,17,22,24-25H,6-8,10H2,1-5H3/b16-9+/t12-,13+,15-,17+,20-,21+/m1/s1 > XADRPXRDEQKIKB-NDGBSBFFSA-N > C21H32O5 > 364.482 > 364.22497413 > 5 > 58 > 40.78353645791671 > 1 > 3 > 0 > 1 > (3R,4R,9S,10R,11S,14R)-4,9,14-trihydroxy-14-(methoxymethyl)-4,10-dimethyl-6-(propan-2-yl)tricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dien-5-one > 1.4267080720000003 > 0 > 3 > 0 > 13.55311048097871 > 12.788821918382585 > -0.7061946900511106 > 86.99000000000001 > 101.143 > 3 > 1 > (3R,4R,9S,10R,11S,14R)-4,9,14-trihydroxy-6-isopropyl-14-(methoxymethyl)-4,10-dimethyltricyclo[9.3.0.0^{3,7}]tetradeca-1,6-dien-5-one > 0 > NP0226447 > (1e,3r,4r,9s,10r,11s,14r)-4,9,14-trihydroxy-6-isopropyl-14-(methoxymethyl)-4,10-dimethyltricyclo[9.3.0.0³,⁷]tetradeca-1,6-dien-5-one $$$$