Mrv0541 05061311482D 55 60 0 0 0 0 999 V2000 7.7456 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 2.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 2.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3228 1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 1.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -0.8489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5902 -0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 0.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -0.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6175 2.1564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 -0.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 1.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4128 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5275 6.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4347 2.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9411 2.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2939 1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 -0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 0.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 0.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3387 0.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1111 1.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6931 2.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0211 6.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 1.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5052 2.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2039 6.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7855 1.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6975 5.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0084 4.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6302 3.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 0.7528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8256 4.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 0.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 3.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2166 7.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4220 0.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 1.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 2.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 7.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5976 1.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8803 5.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -0.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5020 4.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 3.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9098 0.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 1.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3320 5.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1365 4.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 6 1 0 0 0 0 9 8 1 0 0 0 0 11 10 1 0 0 0 0 17 1 1 0 0 0 0 17 12 1 0 0 0 0 18 2 1 0 0 0 0 18 17 2 0 0 0 0 19 3 1 0 0 0 0 20 6 2 0 0 0 0 20 13 1 0 0 0 0 21 13 1 0 0 0 0 21 14 1 0 0 0 0 22 7 1 0 0 0 0 23 8 1 0 0 0 0 23 19 1 0 0 0 0 24 9 1 0 0 0 0 24 22 1 0 0 0 0 25 10 1 0 0 0 0 25 22 1 0 0 0 0 26 12 1 0 0 0 0 26 19 1 0 0 0 0 27 15 1 0 0 0 0 28 16 1 0 0 0 0 29 14 1 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 18 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 4 1 0 0 0 0 39 11 1 0 0 0 0 39 23 1 0 0 0 0 39 24 1 0 0 0 0 40 5 1 0 0 0 0 40 20 1 0 0 0 0 40 25 1 0 0 0 0 40 29 1 0 0 0 0 41 15 1 0 0 0 0 42 16 1 0 0 0 0 43 26 1 0 0 0 0 44 29 1 0 0 0 0 45 30 1 0 0 0 0 46 31 1 0 0 0 0 47 32 1 0 0 0 0 48 33 1 0 0 0 0 49 34 1 0 0 0 0 50 35 1 0 0 0 0 51 36 2 0 0 0 0 52 21 1 0 0 0 0 52 37 1 0 0 0 0 53 27 1 0 0 0 0 53 37 1 0 0 0 0 54 28 1 0 0 0 0 54 38 1 0 0 0 0 55 36 1 0 0 0 0 55 38 1 0 0 0 0 M END > CHEM033597 > chemdb > CC(C(O)C\C(C)=C(\C)C(=O)OC1OC(CO)C(O)C(O)C1O)C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O > InChI=1S/C40H64O15/c1-17(18(2)36(51)55-38-35(50)33(48)31(46)28(16-42)54-38)12-26(43)19(3)23-8-9-24-22-7-6-20-13-21(52-37-34(49)32(47)30(45)27(15-41)53-37)14-29(44)40(20,5)25(22)10-11-39(23,24)4/h6,19,21-35,37-38,41-50H,7-16H2,1-5H3/b18-17- > JPXWUHUTNQDPDE-ZCXUNETKSA-N > C40H64O15 > 784.9272 > 784.424521378 > 14 > 85.63306145532286 > 0 > 10 > 0 > 0 > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2Z)-5-hydroxy-6-(3-hydroxy-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-2,3-dimethylhept-2-enoate > -0.26 > -0.27557685566666534 > -3.37 > 1 > 6 > 0 > 12.423861663676384 > 11.90198821195754 > -2.9810938228979893 > 256.28999999999996 > 195.37460000000004 > 11 > 0 > 3.34e-01 g/l > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2Z)-5-hydroxy-6-(3-hydroxy-2,15-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl)-2,3-dimethylhept-2-enoate > 0 > 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-b-D-glucosyl ester > 155510-72-8 $$$$