CDK 1018121544 31 33 0 0 0 0 0 0 0 0999 V2000 17.9959 -0.0497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9959 -0.8747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4178 -0.0539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2787 -1.2892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4178 -0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7090 -1.2892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7048 0.3607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1350 0.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2787 0.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6850 -1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1433 1.1773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7048 1.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8605 1.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5657 -0.8747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6767 -3.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1350 -1.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2663 -2.7112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4261 1.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5657 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5016 -3.4325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5694 1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8688 2.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7090 -2.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5818 2.8189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9876 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8600 -1.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8568 -1.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2579 -4.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9917 -1.6996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1308 -0.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4137 0.7835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 4 10 1 6 0 0 0 11 18 1 0 0 0 0 12 7 1 0 0 0 0 11 13 1 1 0 0 0 14 4 1 0 0 0 0 15 17 1 0 0 0 0 16 5 2 0 0 0 0 17 10 1 0 0 0 0 18 12 1 0 0 0 0 19 9 1 0 0 0 0 20 15 2 0 0 0 0 21 13 2 0 0 0 0 22 13 1 0 0 0 0 6 23 1 1 0 0 0 24 22 2 0 0 0 0 1 25 1 6 0 0 0 26 4 1 0 0 0 0 14 27 1 1 0 0 0 28 15 1 0 0 0 0 2 29 1 1 0 0 0 3 30 1 6 0 0 0 7 31 1 1 0 0 0 14 19 1 0 0 0 0 3 5 1 0 0 0 0 11 8 1 0 0 0 0 M END > CHEBI:70357 > Eriocasin C > A natural product found in Isodon eriocalyx. > 2 > 19-acetoxy-3beta,6beta-dihydroxy-7,16-dioxo-ent-abieta-15(17)-ene > C22H32O6 > 392.48590 > 392.21989 > 0 > [H][C@@]12C[C@@H](CC[C@@]1([H])[C@]1(C)CC[C@H](O)[C@@](C)(COC(C)=O)[C@@]1([H])[C@H](O)C2=O)C(=C)C=O > InChI=1S/C22H32O6/c1-12(10-23)14-5-6-16-15(9-14)18(26)19(27)20-21(16,3)8-7-17(25)22(20,4)11-28-13(2)24/h10,14-17,19-20,25,27H,1,5-9,11H2,2-4H3/t14-,15-,16-,17+,19-,20+,21+,22-/m1/s1 > JZFWRUQOQHVXDM-UDTDVKRRSA-N > 20949916 $$$$