5311000 oechem 57 - 02072010443 d 60 0 1 0 0 0 0 0999 V2000型-1.4875 2.7517 1.0232 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0845 0.2946 1.8066 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2415 -2.3584 -1.2392 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2903 0.0199 -0.5409 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6989 -2.2911 0.9058 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2465 -0.1373 1.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8192 -0.2556 -0.2569 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8949 0.9718 -0.0991 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5102 0.7742 -0.6979 C 0 0 1 0 0 0 0 0 0 0 0 0-1.2060 -0.4521 -0.0004 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1165 0.3218 0.3847 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7477 2.1351 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1556 -1.4242 0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1975 1.7683 -0.1900 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2846 -1.7165 0.0272 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6773 -0.6904 -0.5378 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3760 2.0597 -0.6349 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0874 -0.6399 -1.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 1.8091 -1.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.43120.6408 - -0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3534 -0.4700 0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8004 2.8031 0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7434 -1.1803 -2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3648 -1.7614 0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5742 0.8122 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3783 -1.8932 0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4997 -1.5961 0.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1938 -0.2958 0.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 1.1434 0.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4054 0.5496 -1.7639 H0 0 0 0 0 0 0 0 0 0 0 0 -1.3102 -0.1719 1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6815 2.2190 -1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4221 3.0912 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1144 -1.2042 1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 -2.3382 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7954 1.7920 -1.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7023 -2.4505 0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9103 2.8415 -1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -1.6592 -1.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2122 -0.5755 -2.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 0.0141 -2.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7447 1.6006 -2.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3922 2.7204 -1.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1829 2.9525 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8026 2.5014 1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8874 3.7721 0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7632 -1.0879 -2.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0932 -0.6073 -2.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4827 -2.2391 -2.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4367 0.9436 2.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 -2.7511 0.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2867 -1.6917 -1.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0765 1.7728 0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9905 -2.5587 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7858 -2.0120 1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9420 -2.4097 1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0064 -1.7445 1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 11 1 0 0 0 0 2 50 1 0 0 0 0 3 15 1 0 0 0 0 3 52 1 0 0 0 0 4 21 2 0 0 0 0 5 26 1 0 0 0 0 5 57 1 0 0 0 0 6 28 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 30 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 31 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 22 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 25 2 0 0 0 0 21 26 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 27 2 0 0 0 0 24 51 1 0 0 0 0 25 28 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 M END >
DB00240 >
drugbank >
PUBCHEM >
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FJXOGVLKCZQRDN-PHCHRAKRSA-N/SDF?record_type=3d >
[H] [C@@] 12 C [C@@H] (C) [C@] (O) (C (= O)有限公司)(C@@) 1 (C) C [C@H] (O) [C@@] 1 [H] [C@@] 2 [C@H] ([H]) (Cl) CC2 = CC (= O) C = C [C@] 12 C >
InChI = 1 s / C22H29ClO5 / c1-11-6-14-18-15(23) 8-12-7-13(25) 8-12-7-13(2) 19(18) 16(26) 9(14日3)22(11日28)17 (27)10 - 24 / h4-5、7、11、14 - 16,18日至19日,24日,26日28 h, 6日8-10H2, 1-3H3 / t11 -, 14 + 15 - 16 +, 18岁,19 + 20 + 21 + 22 + / m1 / s1 >
FJXOGVLKCZQRDN-PHCHRAKRSA-N >
C22H29ClO5 >
408.916 >
408.170351745 >
5 >
57 >
-3.699174504076245 e-06 >
42.87866433858068 >
1 >
3 >
0 >
1 >
(1 r, 2 r, 3, 3 bs, 4 r, 9, 9 b, 10, 11时)4-chloro-1, 10-dihydroxy-1——(2-hydroxyacetyl) 2、9、11 a-trimethyl-1h, 2小时,3小时,3啊,3 bh, 4 h, 5 h, h, 7 9啊,9 bh, 10 h, 11 h, 11 ah-cyclopenta[一]phenanthren-7-one >
2.11 >
1.6837898096666655 >
-3.47 >
0 >
0 >
4 >
0 >
13.861031389302607 >
12.45061451769192 >
-2.852473854340941 >
94.83 >
107.60839999999997 >
2 >
1 >
1.37 e-01 g / l >
(1 s, 2 s, 4 r, 8, 9, 11, 12 r, s) 13 12-fluoro-11-hydroxy-8——(2-hydroxyacetyl) 6、6、9,13-tetramethyl-5, 7-dioxapentacyclo 10.8.0.0 ^{2, 9} 0 ^{4 8}。0 ^{13日18}]icosa-14 17-dien-16-one >
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