Mrv0541 12181313512D 29 31 0 0 0 0 999 V2000 18.8004 -18.6760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2719 -18.6387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5422 -18.9912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5484 -18.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9514 -19.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0874 -19.1321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5890 -17.8555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4459 -17.8637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2333 -17.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7394 -17.8016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4284 -18.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0907 -17.2005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9112 -17.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0377 -19.9567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2958 -17.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4711 -17.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3000 -20.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3524 -18.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0302 -19.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0275 -16.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2502 -21.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7536 -19.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8875 -19.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7299 -16.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0939 -17.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6078 -19.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2678 -19.4635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1662 -17.1383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6530 -17.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 6 14 1 1 0 0 0 10 15 1 6 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 18 4 2 0 0 0 0 19 5 2 0 0 0 0 20 16 2 0 0 0 0 21 17 2 0 0 0 0 3 22 1 6 0 0 0 1 23 1 1 0 0 0 12 24 1 6 0 0 0 25 16 1 0 0 0 0 26 17 1 0 0 0 0 2 27 1 6 0 0 0 7 28 1 6 0 0 0 8 29 1 1 0 0 0 11 10 1 0 0 0 0 8 13 1 0 0 0 0 9 4 1 0 0 0 0 M END > CHEBI:69346 > inuchinenolide C > A sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2(3H)-one substituted by acetyloxy groups at positions 5 and 7, a hydroxy group at position 4, methyl groups at positions 4a and 8 and a methylidene group at position 3. It has been isolated from the aerial parts of Inula hupehensis. > 3 > (3aS,4S,4aR,5S,7S,7aS,8R,9aS)-4-hydroxy-4a,8-dimethyl-3-methylidene-2-oxododecahydroazuleno[6,5-b]furan-5,7-diyl diacetate > C19H26O7 > 366.40550 > 366.16785 > 0 > C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@]2(C)[C@H](C[C@H](OC(C)=O)[C@@H]12)OC(C)=O > InChI=1S/C19H26O7/c1-8-6-12-15(9(2)18(23)26-12)17(22)19(5)14(25-11(4)21)7-13(16(8)19)24-10(3)20/h8,12-17,22H,2,6-7H2,1,3-5H3/t8-,12+,13+,14+,15-,16-,17+,19-/m1/s1 > QFJNAUKGMNMIGV-IZZBGLMFSA-N > 4823238 > 21894898 $$$$