Mrv1533004171504592D 47 51 0 0 0 0 999 V2000 -6.1607 0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6543 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9652 -0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8371 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 -0.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5135 -0.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 0.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0071 -0.7301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6585 -1.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 -0.2237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5008 -1.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7301 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0473 -2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3959 -2.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1983 -2.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5838 -2.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 -3.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5086 -3.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7601 -1.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1041 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6359 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7283 -1.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5404 -1.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8207 -2.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6328 -2.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0723 -1.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8844 -1.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 -0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3238 0.2970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9798 -0.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6995 0.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3844 -2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1965 -2.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8526 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4643 -3.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7358 -3.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -1.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4798 -1.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 -0.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1995 -0.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1444 -0.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 -1.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0361 -0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 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 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 25 34 1 0 0 0 0 34 35 1 0 0 0 0 23 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 20 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 21 41 1 0 0 0 0 17 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 11 46 1 0 0 0 0 15 46 1 0 0 0 0 46 47 1 0 0 0 0 M END > NP0328455 > NP-MRD > CC(=C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C > InChI=1S/C36H52O11/c1-17(2)9-12-24(39)36(8,45)29-20(38)14-33(5)23-11-10-18-19(35(23,7)25(40)15-34(29,33)6)13-21(30(44)32(18,3)4)46-31-28(43)27(42)26(41)22(16-37)47-31/h10,13,19-20,22-23,26-29,31,37-38,41-43,45H,1,9,11-12,14-16H2,2-8H3 > STJBLNHSRWHURW-UHFFFAOYSA-N > C36H52O11 > 660.801 > 660.350962494 > 11 > 99 > 70.87799709753985 > 0 > 6 > 0 > 0 > 13-hydroxy-14-(2-hydroxy-6-methyl-3-oxohept-6-en-2-yl)-1,6,6,11,15-pentamethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,7-diene-5,17-dione > 2.24 > 1.710794482333333 > -3.98 > 1 > 5 > 0 > 12.824291875796398 > 12.128584606666873 > -2.88358525593679 > 191.04999999999998 > 172.87570000000005 > 8 > 0 > 6.90e-02 g/l > 13-hydroxy-14-(2-hydroxy-6-methyl-3-oxohept-6-en-2-yl)-1,6,6,11,15-pentamethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,7-diene-5,17-dione > 0 > NP0328455 > 2-hydroxy-1-(2-hydroxy-6-methyl-3-oxohept-6-en-2-yl)-3a,6,6,9b,11a-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,3bh,4h,9ah,11h-cyclopenta[a]phenanthrene-7,10-dione $$$$