Mrv2104 12142312032D 28 30 0 0 1 0 999 V2000 5.4217 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6465 -0.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9520 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1270 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4532 -0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5395 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -2.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2732 1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6465 0.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 10 9 1 0 0 0 0 10 11 1 1 0 0 0 12 10 1 0 0 0 0 12 13 1 1 0 0 0 14 12 1 0 0 0 0 14 6 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 12 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 3 26 1 0 0 0 0 26 8 1 0 0 0 0 26 27 1 1 0 0 0 3 28 1 6 0 0 0 M END > NP0332229 > NP-MRD > [H][C@@]12[C@@H](O)C=C3[C@@H](O)[C@](C)(CC[C@]3(O)[C@@]1(C)[C@@H](CCC2(C)C)OC(C)=O)C=C > InChI=1S/C22H34O5/c1-7-20(5)10-11-22(26)14(18(20)25)12-15(24)17-19(3,4)9-8-16(21(17,22)6)27-13(2)23/h7,12,15-18,24-26H,1,8-11H2,2-6H3/t15-,16+,17-,18+,20-,21-,22+/m0/s1 > XMGQXQDQECHRQK-AEFRDVJXSA-N > C22H34O5 > 378.509 > 378.240624195 > 4 > 61 > 41.93362007865689 > 1 > 3 > 0 > 1 > (4R,4aR,4bR,7R,8S,10S,10aS)-7-ethenyl-4b,8,10-trihydroxy-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-4-yl acetate > 1.8546530743333336 > 0 > 3 > 0 > 14.110481775121684 > 13.461409442867543 > -3.0175712747506527 > 86.99 > 103.45869999999996 > 3 > 1 > (4R,4aR,4bR,7R,8S,10S,10aS)-7-ethenyl-4b,8,10-trihydroxy-1,1,4a,7-tetramethyl-2,3,4,5,6,8,10,10a-octahydrophenanthren-4-yl acetate > 0 > NP0332229 > Pleosmaranes N $$$$