Mrv0541 01161416292D 35 39 0 0 0 0 999 V2000 6.3733 -7.5913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7890 -8.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2004 -7.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 -11.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6230 -11.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3298 -10.7801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9080 -10.7759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0532 -9.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2011 -12.0148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4861 -10.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3381 -9.9527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4861 -12.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7641 -9.9652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7793 -11.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0614 -8.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7793 -12.0148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6230 -12.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 -12.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9038 -9.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0407 -11.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 -9.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4861 -9.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7599 -10.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -9.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4999 -8.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1887 -10.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6189 -10.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3214 -11.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0643 -12.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 -10.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3339 -9.1254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8996 -11.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 -12.8296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -13.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -12.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 5 7 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 11 1 0 0 0 0 9 4 1 0 0 0 0 10 4 1 0 0 0 0 11 21 1 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 10 1 0 0 0 0 15 8 2 0 0 0 0 16 12 1 0 0 0 0 17 5 1 0 0 0 0 18 9 1 0 0 0 0 19 7 1 0 0 0 0 20 6 1 0 0 0 0 21 19 1 0 0 0 0 2 15 1 0 0 0 0 22 10 2 0 0 0 0 23 20 1 0 0 0 0 24 13 1 0 0 0 0 25 2 1 0 0 0 0 4 26 1 1 0 0 0 5 27 1 1 0 0 0 6 28 1 6 0 0 0 16 29 1 1 0 0 0 13 30 1 1 0 0 0 11 31 1 1 0 0 0 7 32 1 6 0 0 0 9 33 1 6 0 0 0 17 18 1 0 0 0 0 16 14 1 0 0 0 0 6 11 1 0 0 0 0 13 23 1 0 0 0 0 25 24 1 0 0 0 0 12 34 1 0 0 0 0 2 1 1 0 0 0 0 12 35 1 0 0 0 0 M END > CHEBI:67942 > 1-oxo-3beta-hydroxyolean-18-ene > A pentacyclic triterpenoid that is olean-18-ene substituted by a β-hydroxy group at position 3 and oxo group at position 1. It has been isolated from the leaves and twigs of Juglans sinensis. > 3 > 3beta-hydroxyolean-18-en-1-one > C30H48O2 > 440.70090 > 440.36543 > 0 > CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC(=O)[C@]43C)C2=C1 > InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-28(6)19(20(27)18-25)9-10-22-29(28,7)12-11-21-26(3,4)23(31)17-24(32)30(21,22)8/h18-19,21-23,31H,9-17H2,1-8H3/t19-,21+,22+,23+,27-,28-,29-,30+/m1/s1 > PKZZYOJERITBAM-HBSCMMAFSA-N > 21448535 > 21309591 $$$$