Mrv1652309042209442D 30 32 0 0 1 0 999 V2000 4.0668 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 1.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 1.5229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4957 2.3479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7812 2.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6543 3.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4793 1.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8371 0.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8838 2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 3.1465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 3.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8371 2.7559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 2.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 1.5229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6391 1.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2102 1.1104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2102 0.2854 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 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 11 8 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 18 22 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 6 0 0 0 22 24 1 0 0 0 0 11 24 1 0 0 0 0 6 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 5 29 1 0 0 0 0 29 30 1 6 0 0 0 M END > NP0190959 > NP-MRD > CC(=O)O[C@@H]1[C@@H](O)[C@H](O)CO[C@H]1OC(C)(C)[C@@H]1CC[C@@]2(C)CC[C@H](C(C)=O)[C@@]2(O)C1 > InChI=1S/C22H36O8/c1-12(23)15-7-9-21(5)8-6-14(10-22(15,21)27)20(3,4)30-19-18(29-13(2)24)17(26)16(25)11-28-19/h14-19,25-27H,6-11H2,1-5H3/t14-,15-,16-,17+,18-,19+,21+,22+/m1/s1 > VBZBMHHXONIZHW-NVTTYYAUSA-N > C22H36O8 > 428.522 > 428.241018119 > 7 > 66 > 45.490620941979785 > 1 > 3 > 0 > 1 > (2S,3R,4S,5R)-2-({2-[(3S,3aS,5R,7aS)-3-acetyl-3a-hydroxy-7a-methyl-octahydro-1H-inden-5-yl]propan-2-yl}oxy)-4,5-dihydroxyoxan-3-yl acetate > 0.9973884053333321 > 1 > 3 > 0 > 13.855492937705893 > 12.785029954317032 > -3.23892246061628 > 122.52000000000001 > 106.20179999999998 > 6 > 1 > (2S,3R,4S,5R)-2-({2-[(3S,3aS,5R,7aS)-3-acetyl-3a-hydroxy-7a-methyl-hexahydro-1H-inden-5-yl]propan-2-yl}oxy)-4,5-dihydroxyoxan-3-yl acetate > 0 > NP0190959 > (2s,3r,4s,5r)-2-({2-[(3s,3as,5r,7as)-3-acetyl-3a-hydroxy-7a-methyl-hexahydro-1h-inden-5-yl]propan-2-yl}oxy)-4,5-dihydroxyoxan-3-yl acetate $$$$