Mrv0541 01081412182D 36 40 0 0 0 0 999 V2000 13.5375 -16.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5375 -16.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2495 -17.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2495 -15.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9615 -16.0250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9626 -16.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6736 -17.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3882 -16.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6715 -15.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3891 -16.0238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3878 -14.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6678 -14.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1054 -14.7839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0997 -15.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8105 -16.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5315 -15.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8218 -14.3722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5323 -14.7936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1526 -14.2481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8255 -13.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0031 -13.5663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2493 -18.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5292 -17.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9583 -17.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9542 -15.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3833 -15.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0917 -16.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1000 -13.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8167 -15.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9575 -14.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2032 -15.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5167 -13.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8236 -17.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2417 -15.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2408 -16.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4583 -12.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 10 1 0 0 0 0 3 6 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 5 4 1 0 0 0 0 3 22 1 0 0 0 0 5 6 1 0 0 0 0 3 23 1 0 0 0 0 6 24 1 6 0 0 0 9 12 2 0 0 0 0 5 25 1 1 0 0 0 10 14 1 0 0 0 0 10 26 1 1 0 0 0 13 11 1 0 0 0 0 14 27 1 6 0 0 0 11 12 1 0 0 0 0 13 28 1 1 0 0 0 13 14 1 0 0 0 0 17 29 1 6 0 0 0 1 2 1 0 0 0 0 19 30 1 1 0 0 0 1 4 1 0 0 0 0 30 31 1 0 0 0 0 2 3 1 0 0 0 0 30 32 1 0 0 0 0 5 9 1 0 0 0 0 2 33 1 1 0 0 0 13 17 1 0 0 0 0 18 34 1 1 0 0 0 14 15 1 0 0 0 0 34 35 1 0 0 0 0 15 16 1 0 0 0 0 21 36 1 6 0 0 0 M END > CHEBI:69517 > rubiarbonol L > A pentacyclic triterpenoid of the class of arborinane-type terpenoids isolated from the roots of Rubia yunnanensis. > 3 > (1R,3S,3aR,5aS,5bS,7aR,9S,11aS,13aR,13bR)-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-1,9-diol > C30H50O3 > 458.71620 > 458.37600 > 0 > CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C > InChI=1S/C30H50O3/c1-18(2)21-16-22(32)25-29(7)13-10-19-20(28(29,6)14-15-30(21,25)17-31)8-9-23-26(3,4)24(33)11-12-27(19,23)5/h10,18,20-25,31-33H,8-9,11-17H2,1-7H3/t20-,21+,22-,23+,24+,25-,27-,28+,29-,30-/m1/s1 > DKVGZFGCLJVLKK-YXAPDXBNSA-N > 22020814 > 21973054 $$$$