30 33 0 0001 0 0 0 0 0999 V2000 3.4520 -3.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4520 -4.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3013 -3.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1507 -4.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1507 -5.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3013 -6.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4520 -5.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6026 -6.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7649 -5.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7649 -4.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.9156 -3.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.1708 -4.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9612 -3.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.1708 -1.9991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.3215 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 10.4721 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 11.6228 -1.3134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 9.3099 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.9156 -2.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.0550 -1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7649 -1.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6026 -2.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6026 -3.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6026 -5.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 4.1493 -1.1507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.2776 -2.4059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 8.2173 -3.3241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 7.0434 -5.0559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 5.7649 -3.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0.0000 -6.3925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 2 3 1 0 2 7 1 0 2 23 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 30 2 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 23 1 0 10 29 1 1 11 12 1 0 11 19 1 0 11 28 1 6 12 13 1 0 13 14 1 0 14 15 1 0 14 19 1 0 14 27 1 6 15 16 1 0 15 18 2 0 16 17 1 0 19 20 1 1 19 21 1 0 21 22 1 0 22 23 1 0 22 25 1 0 22 26 1 6 23 24 1 6 M END > InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 > JYGXADMDTFJGBT-VWUMJDOOSA-N > 1/0/N:1,20,8,9,4,12,3,13,6,21,16,7,5,10,11,22,15,23,2,19,14,17,30,25,18,27/it:im/rA:30cCCCCCCCCCCCCCCCCOOCCCCCHOHOHHO/rB:p1;s2;s3;s4;s5;s2d6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;d15;s11s14;P19;s19;s21;s2s10s22;N23;s22;N22;N14;N11;P10;d5;/rC:3.452,-3.0684,0;3.452,-4.3934,0;2.3013,-3.7309,0;1.1507,-4.3934,0;1.1507,-5.73,0;2.3013,-6.3925,0;3.452,-5.73,0;4.6026,-6.3925,0;5.7649,-5.73,0;5.7649,-4.3934,0;6.9156,-3.7309,0;8.1708,-4.1493,0;8.9612,-3.0684,0;8.1708,-1.9991,0;9.3215,-1.325,0;10.4721,-1.9875,0;11.6228,-1.3134,0;9.3099,0,0;6.9156,-2.4059,0;7.055,-1.0809,0;5.7649,-1.7434,0;4.6026,-2.4059,0;4.6026,-3.7309,0;4.6026,-5.0675,0;4.1493,-1.1507,0;3.2776,-2.4059,0;8.2173,-3.3241,0;7.0434,-5.0559,0;5.7649,-3.0684,0;0,-6.3925,0; > C21 H30 O5 > 362.4599 > C[C@@]12[C@@]3([H])[C@@]([H])(O)C[C@]4(C)[C@@](O)(C(=O)CO)CC[C@@]4([H])[C@]3([H])CCC1=CC(=O)CC2 > 5551 $$$$