Marvin 05261117382D 40 43 0 0 1 0 999 V2000 9.9112 -13.9869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9112 -14.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1967 -13.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1967 -15.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4822 -13.9869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4822 -14.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3401 -13.9869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3401 -14.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6256 -13.5744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6256 -15.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0547 -12.7494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0547 -13.5744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3401 -12.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6257 -12.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8393 -12.4945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3241 -13.1619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8393 -13.8294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7678 -15.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9113 -12.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7678 -13.5744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6567 -14.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5545 -15.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7296 -15.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3401 -13.1619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0427 -14.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0514 -11.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8346 -11.5368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4906 -12.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5470 -11.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5430 -10.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2635 -11.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9759 -11.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6924 -11.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4048 -11.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8048 -10.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0891 -11.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0351 -12.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2896 -12.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9124 -13.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1491 -13.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 8 7 1 0 0 0 0 10 8 1 0 0 0 0 2 10 2 0 0 0 0 13 11 1 0 0 0 0 7 12 1 0 0 0 0 14 13 1 0 0 0 0 9 7 1 0 0 0 0 9 14 1 0 0 0 0 15 11 1 0 0 0 0 12 11 1 0 0 0 0 16 15 1 0 0 0 0 17 12 1 0 0 0 0 17 16 1 0 0 0 0 6 18 2 0 0 0 0 14 19 2 0 0 0 0 5 20 1 1 0 0 0 9 21 1 1 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 7 24 1 1 0 0 0 12 25 1 6 0 0 0 11 26 1 1 0 0 0 15 27 1 0 0 0 0 15 28 1 6 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 27 35 1 6 0 0 0 27 36 1 1 0 0 0 33 37 1 0 0 0 0 33 38 1 0 0 0 0 1 39 1 6 0 0 0 9 1 1 0 0 0 0 2 1 1 0 0 0 0 16 40 1 6 0 0 0 M END > CHEBI:62218 > 23,24-dihydrocucurbitacin D > A 23,24-dihydrocucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at position 5. > 3 > 2beta,16alpha,20,25-tetrahydroxy-10alpha-cucurbit-5-ene-3,11,22-trione; 2beta,16alpha,20,25- tetrahydroxy-9beta-methyl-19-nor-10alpha-lanost-5-ene-3,11,22-trione > (2S,4R)-2,16,20,25-tetrahydroxy-9beta,10,14-trimethyl-4,9-cyclo-9,10-seco-16alpha-cholest-5-ene-1,11,22-trione > C30H46O7 > 518.68200 > 518.32435 > 0 > [H][C@@]12C[C@H](O)C(=O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@]([H])([C@@](C)(O)C(=O)CCC(C)(C)O)[C@@]3(C)CC(=O)[C@@]21C > InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23,31-32,36-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1 > ITMUUFDDBRYVNJ-VOKXYEOFSA-N > 2513994 $$$$