Mrv0541 02241218562D 86 99 0 0 0 0 999 V2000 -4.3426 -3.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3426 -3.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 -4.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9176 -3.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9176 -3.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 -2.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 -1.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9148 -1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9148 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 -0.1415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3441 -0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3441 -1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0587 -0.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0587 -1.7907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -2.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0573 -4.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 -5.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 -3.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 -1.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7329 -1.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6807 -3.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7632 -2.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6779 -0.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8561 -3.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4439 -3.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4316 -0.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1497 -0.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1497 0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8561 0.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5777 0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5777 1.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8561 2.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1497 1.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2882 0.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2015 2.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8649 2.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 2.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2474 -3.4756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9826 -3.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9932 -2.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0265 -2.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9932 -3.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 -3.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4184 -3.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4184 -2.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 -1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 -4.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 -1.7646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1330 -3.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 -0.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -0.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9918 0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9918 -0.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8561 -0.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 -1.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1786 -1.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7064 1.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 0.7078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 -0.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7078 2.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1113 2.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4714 2.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 3.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3756 3.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7604 2.8681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3206 2.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5809 2.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0605 2.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7197 1.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8992 1.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7604 4.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5835 4.3578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0233 3.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8453 3.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3139 3.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 2.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1357 3.1140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4142 1.6106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5777 0.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9683 5.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1677 4.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 3.4398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2799 3.6226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 6 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 3 4 2 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 35 2 0 0 0 0 32 33 1 0 0 0 0 32 36 1 0 0 0 0 33 34 1 0 0 0 0 33 38 1 0 0 0 0 33 63 1 0 0 0 0 34 65 1 0 0 0 0 36 37 2 0 0 0 0 36 55 1 0 0 0 0 37 38 1 0 0 0 0 37 86 1 0 0 0 0 38 85 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 2 0 0 0 0 41 43 2 0 0 0 0 41 47 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 48 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 46 47 2 0 0 0 0 46 49 1 0 0 0 0 47 51 1 0 0 0 0 51 52 2 0 0 0 0 51 56 1 0 0 0 0 52 53 1 0 0 0 0 52 62 1 0 0 0 0 53 54 2 0 0 0 0 53 61 1 0 0 0 0 54 55 1 0 0 0 0 54 60 1 0 0 0 0 55 56 2 0 0 0 0 56 58 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 66 2 0 0 0 0 65 69 2 0 0 0 0 66 67 1 0 0 0 0 66 84 1 0 0 0 0 67 68 2 0 0 0 0 67 74 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 69 73 1 0 0 0 0 70 71 2 0 0 0 0 70 76 1 0 0 0 0 71 72 1 0 0 0 0 71 79 1 0 0 0 0 72 73 1 0 0 0 0 73 82 2 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 83 2 0 0 0 0 76 77 2 0 0 0 0 77 78 1 0 0 0 0 78 79 2 0 0 0 0 78 80 1 0 0 0 0 79 81 1 0 0 0 0 M END > CHEM026718 > chemdb > OC1=C2C3C(=O)OC(C4C5=C6C(=O)OC7=C8C(=CC(O)=C7O)C(=O)OC(C(O)=C5OC34C1=O)=C68)C1OC(=O)C3=C2C(O)=C(O)C(O)=C3C2=C(O)C(O)=C(O)C=C2C(=O)OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)OC12 > InChI=1S/C54H28O32/c55-10-1-6-15(32(63)28(10)59)16-7(2-11(56)29(60)33(16)64)49(74)81-40-14(5-79-47(6)72)80-48(73)8-3-12(57)30(61)34(65)17(8)19-22-20(36(67)38(69)35(19)66)24-27-53(78)84-44(45(40)85-51(22)76)26-25-23-21-18-9(4-13(58)31(62)41(18)83-52(23)77)50(75)82-42(21)39(70)43(25)86-54(26,27)46(71)37(24)68/h1-4,14,26-27,40,44-45,55-70H,5H2 > IVKFUZPXWZMSIV-UHFFFAOYSA-N > C54H28O32 > 1188.7809 > 1188.0563688 > 25 > 104.21522228856054 > 0 > 16 > 0 > 0 > 7,8,9,12,13,14,25,26,27,30,31,32,35,40,46,47-hexadecahydroxy-3,18,21,38,49,55,58,62-octaoxatetradecacyclo[27.25.3.3³⁴,⁵⁴.2⁴¹,⁴⁴.0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁵⁷.0³⁷,⁵³.0³⁹,⁵².0⁴²,⁵¹.0⁴³,⁴⁸.0³⁷,⁶⁰]dohexaconta-5(10),6,8,11(16),12,14,23,25,27,29,31,33(57),34,39,41,43(48),44,46,51-nonadecaen-4,17,22,36,50,56,59,61-octone > 3.20 > 3.668627122666667 > -2.29 > 0 > 14 > -2 > 7.328390465307326 > 6.468812830913487 > -3.624113942233582 > 534.0800000000002 > 270.5816 > 0 > 0 > 6.05e+00 g/l > 7,8,9,12,13,14,25,26,27,30,31,32,35,40,46,47-hexadecahydroxy-3,18,21,38,49,55,58,62-octaoxatetradecacyclo[27.25.3.3³⁴,⁵⁴.2⁴¹,⁴⁴.0²,²⁰.0⁵,¹⁰.0¹¹,¹⁶.0²³,²⁸.0³³,⁵⁷.0³⁷,⁵³.0³⁹,⁵².0⁴²,⁵¹.0⁴³,⁴⁸.0³⁷,⁶⁰]dohexaconta-5(10),6,8,11(16),12,14,23,25,27,29,31,33(57),34,39,41,43(48),44,46,51-nonadecaen-4,17,22,36,50,56,59,61-octone > 0 > Castacrenin G > 200435-38-7 $$$$