Ketcher 06011509412D 1 1.00000 0.00000 0 36 40 0 0 0 999 V2000 15.4670 -18.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4670 -19.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3328 -19.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3328 -17.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1986 -18.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1998 -19.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0643 -19.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9331 -19.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0618 -17.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9266 -18.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9361 -16.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0627 -16.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8010 -16.7190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7883 -17.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6404 -18.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5110 -17.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6661 -16.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5197 -16.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2717 -16.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8828 -15.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8906 -15.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3325 -20.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4569 -20.2089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1946 -20.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1895 -17.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0558 -18.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9171 -17.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7783 -18.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7936 -15.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6598 -17.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3823 -17.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2326 -14.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2478 -14.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5594 -13.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3328 -16.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5991 -19.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16 18 1 0 0 0 17 18 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 10 1 0 0 0 9 10 1 0 0 0 3 6 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 17 1 0 0 0 5 4 1 0 0 0 3 22 1 0 0 0 5 6 1 0 0 0 3 23 1 0 0 0 6 24 1 6 0 0 9 12 1 0 0 0 5 25 1 1 0 0 10 14 1 0 0 0 9 26 1 6 0 0 13 11 1 0 0 0 10 27 1 1 0 0 11 12 1 0 0 0 14 28 1 6 0 0 13 14 1 0 0 0 13 29 1 1 0 0 1 2 1 0 0 0 17 30 1 6 0 0 1 4 1 0 0 0 18 31 1 1 0 0 2 3 1 0 0 0 21 32 1 6 0 0 5 9 1 0 0 0 32 33 1 0 0 0 13 17 1 0 0 0 32 34 2 0 0 0 14 15 1 0 0 0 4 35 1 1 0 0 15 16 1 0 0 0 2 36 1 1 0 0 M END > CHEBI:67599 > 20(29)-lupene-1beta,3beta-diol > A pentacyclic triterpenoid that is lup-20(29)-ene substituted by hydroxy groups at positions 1 and 3 respectively (the 1β,3β-stereoisomer). It has been isolated from Breynia fruticosa. > 3 > 3-epi-glochidiol > lup-20(29)-ene-1beta,3beta-diol > C30H50O2 > 442.71680 > 442.38108 > 0 > CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)C[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 > InChI=1S/C30H50O2/c1-18(2)19-11-13-27(5)15-16-28(6)20(25(19)27)9-10-22-29(28,7)14-12-21-26(3,4)23(31)17-24(32)30(21,22)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,23-,24+,25+,27+,28+,29+,30-/m0/s1 > SWEUJTWPRYKNNX-AXLUDCLJSA-N > 6575512 > 21428418 $$$$