CDK 7/27/12,16:43 38 41 0 0 0 0 0 0 0 0999 V2000 -2.6452 -18.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 -17.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3634 -17.0498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 -17.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 -16.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0917 -16.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8892 -16.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0875 -14.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0875 -15.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -15.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -13.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6635 -14.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6670 -15.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 -15.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2414 -15.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2379 -14.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9512 -13.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -16.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 -13.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -12.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -11.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8044 -13.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -13.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -13.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 -16.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2475 -12.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2546 -11.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5294 -13.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9125 -15.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3723 -11.4742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 -10.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -10.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8038 -10.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8006 -11.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5213 -13.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -14.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9077 -13.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1867 -15.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 3 1 6 0 0 0 8 11 1 0 0 0 0 11 19 1 6 0 0 0 9 10 1 0 0 0 0 19 20 1 0 0 0 0 10 13 1 0 0 0 0 20 21 1 0 0 0 0 12 11 1 0 0 0 0 20 22 2 0 0 0 0 12 13 1 0 0 0 0 12 23 1 1 0 0 0 2 3 1 0 0 0 0 17 24 1 1 0 0 0 1 2 1 0 0 0 0 14 25 1 1 0 0 0 8 9 1 0 0 0 0 24 26 1 0 0 0 0 2 4 2 0 0 0 0 26 27 2 0 0 0 0 6 5 1 0 0 0 0 26 28 1 0 0 0 0 7 6 1 0 0 0 0 9 29 1 1 0 0 0 12 17 1 0 0 0 0 21 30 2 0 0 0 0 13 14 1 0 0 0 0 30 31 1 0 0 0 0 14 15 1 0 0 0 0 31 32 2 0 0 0 0 15 16 1 0 0 0 0 32 33 1 0 0 0 0 16 17 1 0 0 0 0 33 34 2 0 0 0 0 34 21 1 0 0 0 0 9 6 1 0 0 0 0 16 35 1 1 0 0 0 35 36 1 0 0 0 0 13 18 1 6 0 0 0 36 37 1 0 0 0 0 6 18 1 0 0 0 0 36 38 2 0 0 0 0 M END > CHEBI:66834 > Triptogelin C-1 > A natural product found particularly in Celastrus orbiculatus and Tripterygium wilfordii regelii. > 2 > 1beta,2-beta,6alpha-triacetoxy-9alpha-benzoyloxy-dihydro-beta-agarofuran; (1S,2R,4S,5R,6R,7S,9R,12R)-4,5,12-Triacetoxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-7-yl benzoate > C28H36O9 > 516.58000 > 516.23593 > 0 > [H][C@]12C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@H](C)[C@@]3(OC1(C)C)[C@@H]2OC(C)=O)OC(C)=O > InChI=1S/C28H36O9/c1-15-13-21(33-16(2)29)24(35-18(4)31)27(7)22(36-25(32)19-11-9-8-10-12-19)14-20-23(34-17(3)30)28(15,27)37-26(20,5)6/h8-12,15,20-24H,13-14H2,1-7H3/t15-,20-,21+,22+,23-,24+,27-,28-/m1/s1 > BGJHHQRHKDDKIR-OKPVOZINSA-N > 10346948; 8350085 $$$$