Mrv0541 01061414202D 36 40 0 0 0 0 999 V2000 -3.9380 -7.1342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2254 -6.7217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7960 -6.7342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7877 -5.9133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9422 -7.9593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9422 -6.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5128 -7.1426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6506 -8.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5128 -7.9635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2296 -8.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0043 -5.6674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2171 -5.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6506 -6.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0168 -6.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4961 -5.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 -7.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5293 -6.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 -7.1342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4209 -4.8298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1293 -4.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8502 -4.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0084 -4.8381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8002 -7.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7919 -5.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -4.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8544 -5.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5586 -4.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7294 -4.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9463 -8.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -5.4465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5211 -6.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6506 -9.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3674 -8.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0726 -8.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7994 -8.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4277 -5.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 1 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 14 3 1 0 0 0 0 15 12 1 0 0 0 0 16 8 1 0 0 0 0 17 14 1 0 0 0 0 18 13 1 0 0 0 0 19 25 1 0 0 0 0 20 19 1 0 0 0 0 21 20 2 0 0 0 0 22 11 1 0 0 0 0 3 23 1 6 0 0 0 4 24 1 1 0 0 0 25 22 1 0 0 0 0 26 21 1 0 0 0 0 27 21 1 0 0 0 0 22 28 1 6 0 0 0 5 29 1 6 0 0 0 11 30 1 6 0 0 0 7 31 1 1 0 0 0 2 6 1 1 0 0 0 9 10 1 0 0 0 0 16 18 1 0 0 0 0 3 4 1 0 0 0 0 11 17 1 0 0 0 0 8 32 1 0 0 0 0 2 1 1 0 0 0 0 8 33 1 0 0 0 0 3 7 1 0 0 0 0 16 34 2 0 0 0 0 4 15 1 0 0 0 0 9 35 1 1 0 0 0 5 1 1 0 0 0 0 19 36 1 6 0 0 0 1 13 1 0 0 0 0 M END > CHEBI:69998 > combretanone D > A pentacyclic triterpenoid that is 9β,19-cyclolanost-24-ene substituted by an oxo group at position 3 and hydroxy groups at positions 7 and 23. It has been isolated from the leaves of Combretum quadrangulare. > 3 > (23R)-7beta,23-dihydroxy-9beta,19-cyclolanost-24-en-3-one > C30H48O3 > 456.70030 > 456.36035 > 0 > C[C@H](C[C@@H](O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C > InChI=1S/C30H48O3/c1-18(2)14-20(31)15-19(3)21-8-10-28(7)25-22(32)16-23-26(4,5)24(33)9-11-29(23)17-30(25,29)13-12-27(21,28)6/h14,19-23,25,31-32H,8-13,15-17H2,1-7H3/t19-,20+,21-,22+,23+,25+,27-,28+,29-,30+/m1/s1 > QDIQNEFJFYZXIU-VOEAOCOZSA-N > 21312858 > 21265555 $$$$