Mrv1652304282219332D 36 38 0 0 1 0 999 V2000 6.3045 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6096 0.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 -0.2533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8394 -1.0774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5343 -1.5221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2669 -1.1426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9618 -1.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6943 -1.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3893 -1.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7319 -0.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4967 -2.3462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7642 -2.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0693 -2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3368 -2.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2991 -3.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6418 -2.2160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6794 -1.3918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4120 -1.0123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1069 -1.4570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3973 -0.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8738 -0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9812 -0.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1643 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9268 -0.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.1984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4617 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0822 0.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0921 -0.8124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8568 0.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 -2.5955 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -2.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1541 -3.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8490 -4.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4215 -3.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2293 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1821 0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 1 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 4 19 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 18 24 1 1 0 0 0 18 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 17 28 1 1 0 0 0 25 29 1 1 0 0 0 16 30 1 6 0 0 0 11 31 1 1 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 5 35 1 1 0 0 0 3 36 1 1 0 0 0 M END > NP0072186 > NP-MRD > C[C@@H]1C(=O)O[C@@H]2[C@@H](Cl)C(=C)\C=C\[C@H](OC(C)=O)[C@@]3(C)[C@@H](CC[C@H](C)[C@H]3[C@H](OC(C)=O)[C@@]12O)OC(C)=O > InChI=1S/C26H35ClO9/c1-12-8-10-18(33-15(4)28)25(7)19(34-16(5)29)11-9-13(2)21(27)23-26(32,14(3)24(31)36-23)22(20(12)25)35-17(6)30/h9,11-12,14,18-23,32H,2,8,10H2,1,3-7H3/b11-9+/t12-,14+,18+,19-,20-,21-,22-,23+,25+,26-/m0/s1 > FFSHBZUQILYQTC-YJOPYJLRSA-N > C26H35ClO9 > 527.01 > 526.1969604 > 5 > 71 > 52.55042270064912 > 1 > 1 > 0 > 0 > (1R,2S,3S,4S,7S,8S,10E,12S,13R,14R,17S)-2,14-bis(acetyloxy)-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-6-oxatricyclo[11.4.0.0^{3,7}]heptadec-10-en-12-yl acetate > 2.99 > 2.450561531333335 > -4.70 > 1 > 3 > 0 > 12.372528570832372 > -3.9480560031179204 > 125.43 > 127.63479999999998 > 6 > 0 > 1.06e-02 g/l > (1R,2S,3S,4S,7S,8S,10E,12S,13R,14R,17S)-2,14-bis(acetyloxy)-8-chloro-3-hydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-6-oxatricyclo[11.4.0.0^{3,7}]heptadec-10-en-12-yl acetate > 0 > NP0072186 > (-)-Juncin B $$$$