Marvin 05271112252D 43 46 0 0 1 0 999 V2000 8.9444 -10.0936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9444 -10.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2299 -9.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2299 -11.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5154 -10.0936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5154 -10.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3733 -10.0936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3733 -10.9186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6588 -9.6811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6588 -11.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0879 -8.8561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0879 -9.6811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3733 -8.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6589 -8.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8725 -8.6012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3573 -9.2686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8725 -9.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 -11.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9445 -8.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8010 -9.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6899 -10.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5877 -12.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7628 -12.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3733 -9.2686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0759 -10.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0846 -7.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8678 -7.6435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5238 -8.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5802 -7.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5762 -6.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2967 -7.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0091 -7.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7256 -7.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4380 -7.2137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1545 -7.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8380 -6.7092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1223 -7.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0683 -8.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3228 -8.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8669 -7.2068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1584 -8.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9456 -9.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1823 -9.2686 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 34 35 1 0 0 0 0 27 36 1 6 0 0 0 27 37 1 1 0 0 0 33 38 1 0 0 0 0 33 39 1 0 0 0 0 35 40 1 0 0 0 0 35 41 2 0 0 0 0 1 42 1 6 0 0 0 9 1 1 0 0 0 0 2 1 1 0 0 0 0 16 43 1 6 0 0 0 M END > CHEBI:62217 > 23,24-dihydrocucurbitacin B > A 23,24-dihydrocucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at position 5; a hydroxy function at C-25 is acetylated. > 3 > dihydrocucurbitacin B; 2beta,16alpha,20,25-tetrahydroxy-9-methyl-3,11,22-trioxo-19-nor-9beta,10alpha-lanost-5-en-25-yl acetate; 2beta,16alpha,20,25-tetrahydroxy-9-methyl-19-nor-9beta,10alpha-lanost-5-ene-3,11,22-trione, 25-acetate; 25-acetoxy-2beta,16alpha,20-trihydroxy-10alpha-cucurbit-5-ene-3,11,22-trione; 23,24-dihydrocucurbitacin B > (2S,4R)-2,16beta,20-trihydroxy-9beta,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholest-5-en-25-yl acetate > C32H48O8 > 560.71870 > 560.33492 > 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)OC(C)=O)[C@@]3(C)CC(=O)[C@@]21C > InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25,34-35,39H,11-16H2,1-9H3/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1 > QZJJDOYZVRUEDY-NRNCYQGDSA-N > 3189530 $$$$