Mrv0541 11201315592D 39 44 0 0 0 0 999 V2000 16.4276 -8.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1323 -9.2122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1584 -8.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5137 -11.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5137 -12.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2261 -12.6929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2261 -11.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9384 -11.4591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3610 -12.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6509 -11.0471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3607 -11.4676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3776 -9.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6563 -10.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0873 -10.2412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0783 -11.0631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8572 -11.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3476 -10.6660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8717 -9.9958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9444 -9.0509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4885 -9.6771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2945 -9.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5622 -8.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0174 -8.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2051 -8.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2261 -10.2169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2269 -13.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9310 -10.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6438 -11.8718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3524 -10.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0736 -11.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0819 -9.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8377 -10.1383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2837 -7.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3719 -8.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6439 -12.6978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9363 -12.2905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9373 -13.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6951 -9.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7372 -8.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18 2 1 0 0 0 0 8 10 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 35 9 1 0 0 0 0 9 11 1 0 0 0 0 10 11 1 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 4 7 1 0 0 0 0 7 25 2 0 0 0 0 5 6 1 0 0 0 0 6 26 1 1 0 0 0 10 13 1 0 0 0 0 8 27 1 1 0 0 0 11 15 1 0 0 0 0 10 28 1 6 0 0 0 14 12 1 0 0 0 0 11 29 1 1 0 0 0 12 13 1 0 0 0 0 15 30 1 6 0 0 0 14 15 1 0 0 0 0 14 31 1 1 0 0 0 6 36 1 0 0 0 0 21 32 2 0 0 0 0 8 7 1 0 0 0 0 23 33 1 0 0 0 0 8 36 1 0 0 0 0 22 34 1 0 0 0 0 36 35 1 0 0 0 0 36 37 1 1 0 0 0 35 37 1 1 0 0 0 2 1 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 38 1 6 0 0 0 17 18 1 0 0 0 0 19 39 1 6 0 0 0 18 14 1 0 0 0 0 M END > CHEBI:66329 > 17alpha-hydroxywithanolide D > A withanolide that is the 17α-hydroxy derivative of withanolide D. Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity. > 3 > 4beta,17alpha,20alpha-trihydroxy-1-oxo-5beta,6beta-epoxy-20S,22R-witha-2,24-dienolide > (4beta,5beta,6beta,22R)-4,17,20-trihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione > C28H38O7 > 486.59710 > 486.26175 > 0 > CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C > InChI=1S/C28H38O7/c1-14-12-21(34-23(31)15(14)2)26(5,32)27(33)11-9-17-16-13-22-28(35-22)20(30)7-6-19(29)25(28,4)18(16)8-10-24(17,27)3/h6-7,16-18,20-22,30,32-33H,8-13H2,1-5H3/t16-,17-,18-,20-,21+,22+,24-,25-,26-,27+,28+/m0/s1 > JVEUOKCSZLCPOI-IBELMYMKSA-N > 11130253 > 17417907 $$$$