Mrv1652309082222132D 38 43 0 0 1 0 999 V2000 7.6095 -3.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8306 -2.9095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2057 -3.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6765 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8975 -1.8273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7434 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9645 -0.7450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3396 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8103 0.0655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6003 0.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9992 0.8686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2938 1.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 0.7577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4310 1.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9882 -0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -0.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6706 -0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1714 -1.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3513 0.2047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5329 0.3086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8521 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0337 -0.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2153 -0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 0.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9224 0.6203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3952 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3383 1.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6397 1.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2137 1.0693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7128 1.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5313 1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8505 0.8616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1223 1.6405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2727 -2.3660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0009 -3.1449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4622 -2.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 -2.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 -1.8506 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 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 9 7 1 6 0 0 0 9 10 1 0 0 0 0 11 10 1 1 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 9 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 17 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 20 29 1 0 0 0 0 29 30 1 6 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 19 32 1 0 0 0 0 13 32 1 0 0 0 0 32 33 1 1 0 0 0 34 5 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 M END > NP0273252 > NP-MRD > C[C@H](C[C@H](OC(C)=O)[C@H]1OC1(C)C)[C@@]12O[C@@H]1C[C@@]1(C)C2=CC(=O)[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C > InChI=1S/C32H46O6/c1-17(14-20(36-18(2)33)26-28(5,6)38-26)32-22-15-19(34)25-29(7)12-11-23(35)27(3,4)21(29)10-13-30(25,8)31(22,9)16-24(32)37-32/h15,17,20-21,24-26H,10-14,16H2,1-9H3/t17-,20+,21+,24-,25+,26-,29+,30+,31+,32+/m1/s1 > UUJREHQYYSZHDT-SHYYFALHSA-N > C32H46O6 > 526.714 > 526.329439201 > 5 > 84 > 59.27979841641205 > 0 > 0 > 0 > 0 > (1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(1S,2R,4R,6S,10S,11S,16R)-1,2,11,15,15-pentamethyl-9,14-dioxo-5-oxapentacyclo[8.8.0.0^{2,7}.0^{4,6}.0^{11,16}]octadec-7-en-6-yl]butyl acetate > 5.1432931496666665 > 1 > 6 > 0 > 19.99501283816683 > -3.9478540342084734 > 85.5 > 143.286 > 6 > 0 > (1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(1S,2R,4R,6S,10S,11S,16R)-1,2,11,15,15-pentamethyl-9,14-dioxo-5-oxapentacyclo[8.8.0.0^{2,7}.0^{4,6}.0^{11,16}]octadec-7-en-6-yl]butyl acetate > 0 > NP0273252 > (1s,3r)-1-[(2r)-3,3-dimethyloxiran-2-yl]-3-[(1s,2r,4r,6s,10s,11s,16r)-1,2,11,15,15-pentamethyl-9,14-dioxo-5-oxapentacyclo[8.8.0.0²,⁷.0⁴,⁶.0¹¹,¹⁶]octadec-7-en-6-yl]butyl acetate $$$$