Showing NP-Card for (5z,7e,27e,29e)-3,13,15,17,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-39-methoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione (NP0271483)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2022-09-08 17:47:27 UTC | |||||||||||||||
| Updated at | 2022-09-08 17:47:28 UTC | |||||||||||||||
| NP-MRD ID | NP0271483 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | (5z,7e,27e,29e)-3,13,15,17,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-39-methoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione | |||||||||||||||
| Description | Not Available | |||||||||||||||
| Structure |  MOL for NP0271483 ((5z,7e,27e,29e)-3,13,15,17,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-39-methoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)
Mrv1652309082219472D
97101 0 0 0 0 999 V2000
7.5559 -6.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2077 -6.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0956 -5.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3317 -5.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2196 -4.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4557 -3.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8714 -3.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6353 -3.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2871 -3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1750 -2.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8268 -2.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5907 -2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7147 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9508 -1.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3665 -0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1304 -1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2544 -0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4308 -0.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6099 0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4639 -0.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8118 0.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0564 0.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3620 0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8633 0.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7460 1.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2233 2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8070 2.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0643 2.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5072 3.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3313 4.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1562 4.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5834 5.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1859 5.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3610 5.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5748 6.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9063 7.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1791 8.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4780 7.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3518 8.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6946 8.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9006 8.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3295 9.5676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5389 9.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2511 9.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8920 10.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0197 10.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7812 11.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8258 10.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7137 11.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9498 11.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3655 11.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1294 11.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2534 12.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4895 12.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9052 13.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7931 13.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4449 14.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3328 15.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9846 15.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8725 16.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5243 17.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7485 15.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8606 14.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6245 14.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2088 14.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6494 10.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4703 10.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6163 11.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2684 10.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0238 9.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7182 9.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2168 10.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3342 8.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8568 8.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2732 7.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0159 7.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5730 6.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7489 5.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5737 5.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9712 5.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5440 4.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7192 4.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5054 3.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1739 2.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9011 2.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7284 2.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3856 1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1796 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7507 0.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5413 0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8291 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1882 -0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0605 0.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2990 -0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3216 5.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9338 5.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7474 -4.8173 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
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
13 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
19 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 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
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
36 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 1 0 0 0 0
46 47 1 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
51 52 1 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
59 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
63 65 1 0 0 0 0
57 65 1 0 0 0 0
48 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 2 0 0 0 0
67 69 1 0 0 0 0
69 70 2 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
71 73 2 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
75 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 2 0 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
84 86 1 0 0 0 0
86 87 1 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
88 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 1 0 0 0 0
91 93 1 0 0 0 0
17 93 1 0 0 0 0
93 94 1 0 0 0 0
82 95 1 0 0 0 0
78 95 1 0 0 0 0
34 96 1 0 0 0 0
30 96 1 0 0 0 0
8 97 1 0 0 0 0
3 97 1 0 0 0 0
M END
3D MOL for NP0271483 ((5z,7e,27e,29e)-3,13,15,17,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-39-methoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)3D SDF for NP0271483 ((5z,7e,27e,29e)-3,13,15,17,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-39-methoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)
Mrv1652309082219472D
97101 0 0 0 0 999 V2000
7.5559 -6.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2077 -6.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0956 -5.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3317 -5.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2196 -4.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4557 -3.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8714 -3.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6353 -3.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2871 -3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1750 -2.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8268 -2.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5907 -2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7147 -1.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9508 -1.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3665 -0.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1304 -1.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2544 -0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4308 -0.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6099 0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4639 -0.8084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8118 0.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0564 0.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3620 0.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8633 0.3327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7460 1.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2233 2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8070 2.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0643 2.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5072 3.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3313 4.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1562 4.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5834 5.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1859 5.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3610 5.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5748 6.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9063 7.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1791 8.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4780 7.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3518 8.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6946 8.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9006 8.9723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3295 9.5676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5389 9.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2511 9.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8920 10.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0197 10.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7812 11.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8258 10.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7137 11.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9498 11.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3655 11.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1294 11.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2534 12.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4895 12.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9052 13.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7931 13.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4449 14.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3328 15.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9846 15.6793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8725 16.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5243 17.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7485 15.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8606 14.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6245 14.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2088 14.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6494 10.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4703 10.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6163 11.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2684 10.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0238 9.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7182 9.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2168 10.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3342 8.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8568 8.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2732 7.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0159 7.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5730 6.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7489 5.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5737 5.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9712 5.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5440 4.4467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7192 4.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5054 3.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1739 2.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9011 2.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7284 2.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3856 1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1796 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7507 0.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5413 0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8291 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1882 -0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0605 0.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2990 -0.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3216 5.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9338 5.1867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7474 -4.8173 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
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
13 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
19 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 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
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
36 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 1 0 0 0 0
46 47 1 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
49 51 1 0 0 0 0
51 52 1 0 0 0 0
51 53 1 0 0 0 0
53 54 1 0 0 0 0
53 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
59 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
63 65 1 0 0 0 0
57 65 1 0 0 0 0
48 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 2 0 0 0 0
67 69 1 0 0 0 0
69 70 2 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
71 73 2 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 1 0 0 0 0
75 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
79 80 2 0 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
84 86 1 0 0 0 0
86 87 1 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
88 90 1 0 0 0 0
90 91 1 0 0 0 0
91 92 1 0 0 0 0
91 93 1 0 0 0 0
17 93 1 0 0 0 0
93 94 1 0 0 0 0
82 95 1 0 0 0 0
78 95 1 0 0 0 0
34 96 1 0 0 0 0
30 96 1 0 0 0 0
8 97 1 0 0 0 0
3 97 1 0 0 0 0
M END
> <DATABASE_ID>
NP0271483
> <DATABASE_NAME>
NP-MRD
> <SMILES>
COC1CC(C)OC(CCC(C)C(O)C(C)C2OC(=O)C=CC(C)=CCC(O)CC3OC(CC=C3)CC(OC)C(C)C(O)CC(O)C(C)C(OC(=O)C=CC(C)=CCC(O)CC3OC(CC=C3)CC(O)C(C)C(O)CC(O)C2C)C(C)C(O)C(C)CCC2CC(CC(C)O2)OC)C1
> <INCHI_IDENTIFIER>
InChI=1S/C77H130O20/c1-44-22-28-56(78)36-58-18-16-20-60(94-58)40-66(80)50(7)67(81)42-69(83)52(9)76(54(11)74(87)46(3)26-30-62-38-64(89-13)34-48(5)92-62)96-72(85)32-24-45(2)23-29-57(79)37-59-19-17-21-61(95-59)41-71(91-15)51(8)68(82)43-70(84)53(10)77(97-73(86)33-25-44)55(12)75(88)47(4)27-31-63-39-65(90-14)35-49(6)93-63/h16-19,22-25,32-33,46-71,74-84,87-88H,20-21,26-31,34-43H2,1-15H3/b32-24-,33-25-,44-22-,45-23-
> <INCHI_KEY>
DLBZSGSOXDFVJT-KFHUQJTASA-N
> <FORMULA>
C77H130O20
> <MOLECULAR_WEIGHT>
1375.867
> <EXACT_MASS>
1374.915546586
> <JCHEM_ACCEPTOR_COUNT>
18
> <JCHEM_ATOM_COUNT>
227
> <JCHEM_AVERAGE_POLARIZABILITY>
156.31798141907575
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
9
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(5Z,7E,27E,29E)-3,13,15,17,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-39-methoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1^{19,23}]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione
> <JCHEM_LOGP>
6.235131226333339
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
5
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
14.241679976390568
> <JCHEM_PKA_STRONGEST_ACIDIC>
13.869079876859182
> <JCHEM_PKA_STRONGEST_BASIC>
-2.750413152368358
> <JCHEM_POLAR_SURFACE_AREA>
299.28000000000003
> <JCHEM_REFRACTIVITY>
381.16399999999976
> <JCHEM_ROTATABLE_BOND_COUNT>
15
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(5Z,7E,27E,29E)-3,13,15,17,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-39-methoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1^{19,23}]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0271483 ((5z,7e,27e,29e)-3,13,15,17,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-39-methoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)PDB for NP0271483 ((5z,7e,27e,29e)-3,13,15,17,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-39-methoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)HEADER PROTEIN 08-SEP-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 08-SEP-22 0 HETATM 1 C UNK 0 14.104 -12.406 0.000 0.00 0.00 C+0 HETATM 2 O UNK 0 15.321 -11.462 0.000 0.00 0.00 O+0 HETATM 3 C UNK 0 15.112 -9.936 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 13.686 -9.355 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 13.477 -7.829 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 12.051 -7.247 0.000 0.00 0.00 C+0 HETATM 7 O UNK 0 14.693 -6.885 0.000 0.00 0.00 O+0 HETATM 8 C UNK 0 16.119 -7.466 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 17.336 -6.522 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 17.127 -4.997 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 18.343 -4.053 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 19.769 -4.634 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 18.134 -2.527 0.000 0.00 0.00 C+0 HETATM 14 O UNK 0 16.708 -1.945 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 19.351 -1.583 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 20.777 -2.165 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 19.142 -0.057 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 17.604 -0.146 0.000 0.00 0.00 O+0 HETATM 19 C UNK 0 16.072 0.007 0.000 0.00 0.00 C+0 HETATM 20 O UNK 0 15.799 -1.509 0.000 0.00 0.00 O+0 HETATM 21 C UNK 0 14.582 0.397 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 13.172 1.016 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 11.876 1.848 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 10.945 0.621 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 10.726 2.872 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 9.750 4.064 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 8.973 5.393 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 7.587 4.723 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 8.413 6.828 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 8.085 8.332 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 9.625 8.300 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 10.422 9.618 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 9.680 10.967 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 8.141 10.999 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 8.540 12.892 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 9.158 14.302 0.000 0.00 0.00 C+0 HETATM 37 O UNK 0 7.801 15.030 0.000 0.00 0.00 O+0 HETATM 38 C UNK 0 6.492 14.218 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 9.990 15.598 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 8.763 16.529 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 11.014 16.748 0.000 0.00 0.00 C+0 HETATM 42 O UNK 0 9.948 17.860 0.000 0.00 0.00 O+0 HETATM 43 C UNK 0 12.206 17.724 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 13.535 18.501 0.000 0.00 0.00 C+0 HETATM 45 O UNK 0 12.865 19.887 0.000 0.00 0.00 O+0 HETATM 46 C UNK 0 14.970 19.061 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 14.525 20.535 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 16.475 19.389 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 16.266 20.915 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 14.840 21.496 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 17.482 21.859 0.000 0.00 0.00 C+0 HETATM 52 O UNK 0 18.908 21.277 0.000 0.00 0.00 O+0 HETATM 53 C UNK 0 17.273 23.384 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 15.847 23.966 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 18.490 24.328 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 18.280 25.854 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 19.497 26.798 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 19.288 28.324 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 20.505 29.268 0.000 0.00 0.00 C+0 HETATM 60 O UNK 0 20.295 30.794 0.000 0.00 0.00 O+0 HETATM 61 C UNK 0 21.512 31.738 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 21.931 28.686 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 22.140 27.161 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 23.566 26.579 0.000 0.00 0.00 C+0 HETATM 65 O UNK 0 20.923 26.217 0.000 0.00 0.00 O+0 HETATM 66 O UNK 0 18.012 19.478 0.000 0.00 0.00 O+0 HETATM 67 C UNK 0 19.545 19.325 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 19.817 20.841 0.000 0.00 0.00 O+0 HETATM 69 C UNK 0 21.034 18.935 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 22.445 18.316 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 23.741 17.484 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 24.671 18.711 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 24.891 16.460 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 25.866 15.268 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 26.643 13.939 0.000 0.00 0.00 C+0 HETATM 76 O UNK 0 28.030 14.609 0.000 0.00 0.00 O+0 HETATM 77 C UNK 0 27.203 12.504 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 27.531 10.999 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 29.071 10.967 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 29.813 9.618 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 29.015 8.300 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 27.476 8.332 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 27.077 6.440 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 26.458 5.030 0.000 0.00 0.00 C+0 HETATM 85 O UNK 0 27.815 4.302 0.000 0.00 0.00 O+0 HETATM 86 C UNK 0 25.626 3.734 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 26.853 2.803 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 24.602 2.584 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 25.668 1.472 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 23.410 1.608 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 22.081 0.831 0.000 0.00 0.00 C+0 HETATM 92 O UNK 0 22.751 -0.556 0.000 0.00 0.00 O+0 HETATM 93 C UNK 0 20.646 0.271 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 21.092 -1.203 0.000 0.00 0.00 C+0 HETATM 95 O UNK 0 26.734 9.682 0.000 0.00 0.00 O+0 HETATM 96 O UNK 0 7.343 9.682 0.000 0.00 0.00 O+0 HETATM 97 C UNK 0 16.328 -8.992 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 97 CONECT 4 3 5 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 CONECT 8 7 9 97 CONECT 9 8 10 CONECT 10 9 11 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 15 CONECT 14 13 CONECT 15 13 16 17 CONECT 16 15 CONECT 17 15 18 93 CONECT 18 17 19 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 CONECT 22 21 23 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 CONECT 26 25 27 CONECT 27 26 28 29 CONECT 28 27 CONECT 29 27 30 CONECT 30 29 31 96 CONECT 31 30 32 CONECT 32 31 33 CONECT 33 32 34 CONECT 34 33 35 96 CONECT 35 34 36 CONECT 36 35 37 39 CONECT 37 36 38 CONECT 38 37 CONECT 39 36 40 41 CONECT 40 39 CONECT 41 39 42 43 CONECT 42 41 CONECT 43 41 44 CONECT 44 43 45 46 CONECT 45 44 CONECT 46 44 47 48 CONECT 47 46 CONECT 48 46 49 66 CONECT 49 48 50 51 CONECT 50 49 CONECT 51 49 52 53 CONECT 52 51 CONECT 53 51 54 55 CONECT 54 53 CONECT 55 53 56 CONECT 56 55 57 CONECT 57 56 58 65 CONECT 58 57 59 CONECT 59 58 60 62 CONECT 60 59 61 CONECT 61 60 CONECT 62 59 63 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 57 CONECT 66 48 67 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 70 CONECT 70 69 71 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 74 CONECT 74 73 75 CONECT 75 74 76 77 CONECT 76 75 CONECT 77 75 78 CONECT 78 77 79 95 CONECT 79 78 80 CONECT 80 79 81 CONECT 81 80 82 CONECT 82 81 83 95 CONECT 83 82 84 CONECT 84 83 85 86 CONECT 85 84 CONECT 86 84 87 88 CONECT 87 86 CONECT 88 86 89 90 CONECT 89 88 CONECT 90 88 91 CONECT 91 90 92 93 CONECT 92 91 CONECT 93 91 17 94 CONECT 94 93 CONECT 95 82 78 CONECT 96 34 30 CONECT 97 8 3 MASTER 0 0 0 0 0 0 0 0 97 0 202 0 END 3D PDB for NP0271483 ((5z,7e,27e,29e)-3,13,15,17,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-39-methoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)SMILES for NP0271483 ((5z,7e,27e,29e)-3,13,15,17,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-39-methoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)COC1CC(C)OC(CCC(C)C(O)C(C)C2OC(=O)C=CC(C)=CCC(O)CC3OC(CC=C3)CC(OC)C(C)C(O)CC(O)C(C)C(OC(=O)C=CC(C)=CCC(O)CC3OC(CC=C3)CC(O)C(C)C(O)CC(O)C2C)C(C)C(O)C(C)CCC2CC(CC(C)O2)OC)C1 INCHI for NP0271483 ((5z,7e,27e,29e)-3,13,15,17,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-39-methoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)InChI=1S/C77H130O20/c1-44-22-28-56(78)36-58-18-16-20-60(94-58)40-66(80)50(7)67(81)42-69(83)52(9)76(54(11)74(87)46(3)26-30-62-38-64(89-13)34-48(5)92-62)96-72(85)32-24-45(2)23-29-57(79)37-59-19-17-21-61(95-59)41-71(91-15)51(8)68(82)43-70(84)53(10)77(97-73(86)33-25-44)55(12)75(88)47(4)27-31-63-39-65(90-14)35-49(6)93-63/h16-19,22-25,32-33,46-71,74-84,87-88H,20-21,26-31,34-43H2,1-15H3/b32-24-,33-25-,44-22-,45-23- Structure for NP0271483 ((5z,7e,27e,29e)-3,13,15,17,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-39-methoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione)
3D Structure for NP0271483 ((5z,7e,27e,29e)-3,13,15,17,25,35,37-heptahydroxy-11,33-bis[3-hydroxy-6-(4-methoxy-6-methyloxan-2-yl)-4-methylhexan-2-yl]-39-methoxy-6,12,16,28,34,38-hexamethyl-10,32,45,46-tetraoxatricyclo[39.3.1.1¹⁹,²³]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione) | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C77H130O20 | |||||||||||||||
| Average Mass | 1375.8670 Da | |||||||||||||||
| Monoisotopic Mass | 1374.91555 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | COC1CC(C)OC(CCC(C)C(O)C(C)C2OC(=O)C=CC(C)=CCC(O)CC3OC(CC=C3)CC(OC)C(C)C(O)CC(O)C(C)C(OC(=O)C=CC(C)=CCC(O)CC3OC(CC=C3)CC(O)C(C)C(O)CC(O)C2C)C(C)C(O)C(C)CCC2CC(CC(C)O2)OC)C1 | |||||||||||||||
| InChI Identifier | InChI=1S/C77H130O20/c1-44-22-28-56(78)36-58-18-16-20-60(94-58)40-66(80)50(7)67(81)42-69(83)52(9)76(54(11)74(87)46(3)26-30-62-38-64(89-13)34-48(5)92-62)96-72(85)32-24-45(2)23-29-57(79)37-59-19-17-21-61(95-59)41-71(91-15)51(8)68(82)43-70(84)53(10)77(97-73(86)33-25-44)55(12)75(88)47(4)27-31-63-39-65(90-14)35-49(6)93-63/h16-19,22-25,32-33,46-71,74-84,87-88H,20-21,26-31,34-43H2,1-15H3/b32-24-,33-25-,44-22-,45-23- | |||||||||||||||
| InChI Key | DLBZSGSOXDFVJT-KFHUQJTASA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Predicted Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
| Species | ||||||||||||||||
| Species of Origin | Not Available | |||||||||||||||
| Chemical Taxonomy | ||||||||||||||||
| Classification | Not classified | |||||||||||||||
| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
| |||||||||||||||
| Predicted Properties |
| |||||||||||||||
| External Links | ||||||||||||||||
| External Links | Not Available | |||||||||||||||
| References | ||||||||||||||||
| General References |
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