Mrv0541 01091409332D 38 42 0 0 0 0 999 V2000 -3.4553 -8.4982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4553 -9.3255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7413 -9.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7413 -8.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0273 -8.4982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0262 -9.3255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3133 -9.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5967 -9.3237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3154 -8.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6021 -8.4987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5943 -6.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3146 -7.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1189 -7.2663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1084 -8.0884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8113 -8.5064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -8.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8324 -6.8620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5388 -7.2813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1559 -6.7391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8310 -5.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0131 -6.0606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7416 -10.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4637 -10.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0306 -10.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0348 -7.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1207 -9.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -7.6710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1128 -6.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1003 -8.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8273 -7.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -5.4391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 -6.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2090 -7.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5239 -6.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1729 -8.0867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1711 -9.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -7.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2531 -8.5191 0.0000 O 0 0 0 0 0 0 0 0 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 8 26 1 1 0 0 0 13 11 1 0 0 0 0 10 27 1 1 0 0 0 11 12 1 0 0 0 0 13 28 1 1 0 0 0 13 14 1 0 0 0 0 14 29 1 6 0 0 0 1 2 1 0 0 0 0 17 30 1 6 0 0 0 1 4 1 0 0 0 0 21 31 1 6 0 0 0 2 3 1 0 0 0 0 19 32 1 1 0 0 0 5 9 1 0 0 0 0 32 33 1 0 0 0 0 13 17 1 0 0 0 0 32 34 1 0 0 0 0 14 15 1 0 0 0 0 1 35 1 6 0 0 0 15 16 1 0 0 0 0 2 36 1 1 0 0 0 16 18 1 0 0 0 0 18 37 1 1 0 0 0 17 18 1 0 0 0 0 37 38 1 0 0 0 0 M END > CHEBI:69524 > rubiarbonol F > A pentacyclic triterpenoid of the class of arborinane-type terpenoids isolated from the roots of Rubia yunnanensis. > 3 > (1R,3S,3aR,5aS,5bS,6S,7aR,9R,10R,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-1,6,9,10-tetrol > C30H50O5 > 490.71500 > 490.36582 > 0 > CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(CO)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)[C@H](O)C[C@]4(C)C3=CC[C@]21C > InChI=1S/C30H50O5/c1-16(2)18-12-20(33)24-29(7)9-8-17-23(28(29,6)10-11-30(18,24)15-31)19(32)13-22-26(3,4)25(35)21(34)14-27(17,22)5/h8,16,18-25,31-35H,9-15H2,1-7H3/t18-,19-,20+,21+,22-,23-,24+,25-,27+,28-,29+,30+/m0/s1 > KJXUHHARWYEHNL-ZEUDKGLNSA-N > 4212309 > 21973054 $$$$