CDK 9/10/12,15:49 29 32 0 0 0 0 0 0 0 0999 V2000 -0.1955 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6295 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8845 2.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 2.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4503 2.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5844 0.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0745 0.6040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0264 1.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2647 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0088 -1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0088 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2968 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5915 -1.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1253 -1.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1288 -0.3186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8462 0.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8374 -1.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5962 -2.3757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0167 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -1.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0079 -2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7292 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4347 -1.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1498 -1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8636 -1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -0.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 7 1 1 0 0 0 0 1 8 1 1 0 0 0 14 6 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 6 1 0 0 0 0 8 9 1 0 0 0 0 18 19 1 6 0 0 0 6 9 1 1 0 0 0 17 20 2 0 0 0 0 10 11 1 0 0 0 0 16 21 1 1 0 0 0 4 5 1 0 0 0 0 14 22 1 1 0 0 0 5 1 1 0 0 0 0 15 23 1 6 0 0 0 6 7 1 0 0 0 0 12 24 1 0 0 0 0 1 2 1 0 0 0 0 12 25 1 0 0 0 0 10 13 1 0 0 0 0 11 26 1 6 0 0 0 11 12 1 0 0 0 0 26 27 1 0 0 0 0 12 15 1 0 0 0 0 27 28 1 0 0 0 0 14 13 1 0 0 0 0 27 29 2 0 0 0 0 M END > CHEBI:68025 > Preleosibirone A, (rel)- > A natural product found in Leonurus sibiricus. > 2 > rel-3alpha-acetoxy-9alpha,13S; 15,16-diepoxy-6beta-hydroxy labd-14-en-7-one > C22H32O6 > 392.48590 > 392.21989 > 0 > [H][C@@]12[C@H](O)C(=O)[C@@H](C)[C@]3(CC[C@]4(COC=C4)O3)[C@@]1(C)CC[C@@H](OC(C)=O)C2(C)C > InChI=1S/C22H32O6/c1-13-16(24)17(25)18-19(3,4)15(27-14(2)23)6-7-20(18,5)22(13)9-8-21(28-22)10-11-26-12-21/h10-11,13,15,17-18,25H,6-9,12H2,1-5H3/t13-,15-,17-,18+,20+,21+,22-/m1/s1 > PHNDFJBMMYOJPB-FYUPEHAASA-N > 21375312 $$$$