Mrv1652304292204192D 44 49 0 0 1 0 999 V2000 6.2355 0.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4552 1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8764 2.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0779 2.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8582 1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 0.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3334 -0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6361 -0.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4495 -1.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7367 -1.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9757 -0.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 1.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2728 1.6316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7118 2.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2643 3.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4682 2.8562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8354 2.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0279 2.5746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2894 1.5699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6097 1.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 0.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7098 1.0900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7075 2.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7189 -0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4307 -0.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7131 0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4247 0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3225 -0.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 -1.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -1.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 2.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7832 3.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1241 3.1729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2537 1.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8326 1.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6128 0.5668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8143 0.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5027 0.3463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3215 0.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4259 1.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1868 1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2912 2.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8434 1.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7639 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 5 12 1 0 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 15 1 1 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 1 0 0 0 16 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 19 26 1 1 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 14 31 1 0 0 0 0 4 31 1 0 0 0 0 31 32 2 0 0 0 0 3 33 1 0 0 0 0 2 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 1 37 1 0 0 0 0 36 38 1 6 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 36 44 1 1 0 0 0 M END > NP0081350 > NP-MRD > CC(C)=CCC[C@]1(C)OC2=C(C=C1)C(O)=C1C(=O)C3=C[C@H]4C[C@@H]5C(C)(C)O[C@](CC=C(C)C)(C4=O)[C@]35OC1=C2CC=C(C)C > InChI=1S/C38H46O6/c1-21(2)11-10-16-36(9)17-15-25-30(39)29-31(40)27-19-24-20-28-35(7,8)44-37(34(24)41,18-14-23(5)6)38(27,28)43-33(29)26(32(25)42-36)13-12-22(3)4/h11-12,14-15,17,19,24,28,39H,10,13,16,18,20H2,1-9H3/t24-,28+,36-,37+,38-/m0/s1 > UVSUFYGCWITFIZ-ZQMCEVIESA-N > C38H46O6 > 598.78 > 598.329439201 > 6 > 90 > 67.4826562580256 > 0 > 1 > 0 > 0 > (1R,2R,8S,17R,19S)-12-hydroxy-8,21,21-trimethyl-5,19-bis(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4,6(11),9,12,15-pentaene-14,18-dione > 6.52 > 8.59206454966667 > -5.96 > 1 > 6 > 0 > 11.743568938195006 > 8.581527424672023 > -4.135787342166958 > 82.06 > 177.4444 > 7 > 0 > 6.61e-04 g/l > (1R,2R,8S,17R,19S)-12-hydroxy-8,21,21-trimethyl-5,19-bis(3-methylbut-2-en-1-yl)-8-(4-methylpent-3-en-1-yl)-3,7,20-trioxahexacyclo[15.4.1.0^{2,15}.0^{2,19}.0^{4,13}.0^{6,11}]docosa-4,6(11),9,12,15-pentaene-14,18-dione > 0 > NP0081350 > Gambogin $$$$