Canonical SMILES: CC1(C)[C@@H](O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5C[C@@](C)(C=O)CC[C@]5(C(=O)O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
Standard InChI: InChI=1S/C53H84O23/c1-48(2)29-9-12-52(6)30(8-7-23-24-17-49(3,22-57)13-15-53(24,16-14-51(23,52)5)47(68)76-44-40(67)37(64)34(61)27(19-55)71-44)50(29,4)11-10-31(48)73-45-41(32(59)25(58)21-69-45)75-46-42(38(65)35(62)28(20-56)72-46)74-43-39(66)36(63)33(60)26(18-54)70-43/h7,22,24-46,54-56,58-67H,8-21H2,1-6H3/t24-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,49-,50-,51+,52+,53-/m0/s1
Standard InChI Key: YEMXBZDJQOAHLA-KJIQPPNDSA-N
Molfile:
RDKit 2D
82 90 0 0 0 0 0 0 0 0999 V2000
9.9219 -12.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3346 -12.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7430 -12.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4715 -17.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0670 -17.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6581 -17.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5382 -15.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5382 -16.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2435 -17.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9488 -16.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9488 -15.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2435 -15.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8293 -15.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8284 -17.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2435 -17.8172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9512 -18.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9477 -19.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6513 -19.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3614 -19.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3634 -18.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6552 -17.8162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0670 -17.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7790 -18.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0676 -19.4586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6482 -20.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2386 -19.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6559 -17.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3642 -16.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0722 -15.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3599 -15.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7792 -15.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7727 -16.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4706 -17.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1794 -16.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7728 -14.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1731 -17.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4785 -16.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4836 -15.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1835 -15.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2015 -14.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4895 -14.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1760 -14.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9015 -14.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8857 -15.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5761 -15.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2867 -15.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8777 -16.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6077 -14.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3016 -14.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0100 -14.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0306 -13.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6222 -13.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8942 -13.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1047 -12.2892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0032 -15.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0011 -15.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7120 -14.6205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7077 -16.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7005 -17.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4030 -17.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1142 -17.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1183 -16.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4112 -15.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3978 -18.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6875 -18.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8193 -17.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8285 -15.8556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4125 -15.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6555 -18.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0670 -16.1829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2358 -20.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5297 -20.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5250 -21.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2294 -21.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9403 -21.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9467 -20.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9415 -19.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6452 -21.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3557 -21.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2236 -22.7203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8232 -20.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8143 -21.8919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0
6 5 1 0
7 8 1 0
7 12 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
7 13 1 1
8 14 1 1
9 15 1 6
16 15 1 0
16 17 1 0
16 21 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
20 22 1 6
22 23 1 0
19 24 1 1
18 25 1 6
17 26 1 1
10 27 1 6
28 27 1 0
28 5 1 0
28 30 1 0
5 32 1 0
31 29 1 0
29 30 1 0
31 32 1 0
31 38 1 0
32 33 1 0
33 34 1 0
34 39 1 0
31 35 1 1
32 36 1 6
38 37 1 6
38 39 1 0
38 41 1 0
39 44 1 0
43 40 2 0
40 41 1 0
39 42 1 1
43 44 1 0
43 48 1 0
44 45 1 0
45 46 1 0
46 49 1 0
44 47 1 6
48 49 1 0
48 52 1 0
49 50 1 0
50 51 1 0
51 2 1 0
2 52 1 0
48 53 1 1
2 1 1 1
2 3 1 0
1 54 2 0
49 55 1 1
55 56 1 0
55 57 2 0
58 56 1 6
58 59 1 0
58 63 1 0
59 60 1 0
60 61 1 0
61 62 1 0
62 63 1 0
60 64 1 1
64 65 1 0
61 66 1 6
62 67 1 1
63 68 1 6
16 69 1 6
28 70 1 6
26 71 1 0
71 72 1 0
71 76 1 0
72 73 1 0
73 74 1 0
74 75 1 0
75 76 1 0
71 77 1 6
75 78 1 6
78 79 1 0
74 80 1 1
72 81 1 1
73 82 1 6
M END