Showing NP-Card for 4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2s)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone (NP0256560)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2022-09-07 21:26:12 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2022-09-07 21:26:12 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0256560 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | 4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2s)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0256560 (4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2s)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone)
Mrv1652309072223262D
36 37 0 0 1 0 999 V2000
3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4302 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.2375 0.0000 O 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
2 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 1 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 6 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
24 33 1 0 0 0 0
17 33 1 0 0 0 0
33 34 2 0 0 0 0
16 35 1 0 0 0 0
9 35 1 0 0 0 0
35 36 2 0 0 0 0
M END
3D MOL for NP0256560 (4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2s)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone)3D SDF for NP0256560 (4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2s)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone)
Mrv1652309072223262D
36 37 0 0 1 0 999 V2000
3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7158 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4302 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7158 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -1.2375 0.0000 O 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
2 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 1 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 6 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
24 33 1 0 0 0 0
17 33 1 0 0 0 0
33 34 2 0 0 0 0
16 35 1 0 0 0 0
9 35 1 0 0 0 0
35 36 2 0 0 0 0
M END
> <DATABASE_ID>
NP0256560
> <DATABASE_NAME>
NP-MRD
> <SMILES>
C[C@@H](CCC=C(C)C)C1=C(O)C(=O)C(C)=C(C1=O)C1=C(C)C(=O)C(O)=C([C@@H](C)CCC=C(C)C)C1=O
> <INCHI_IDENTIFIER>
InChI=1S/C30H38O6/c1-15(2)11-9-13-17(5)21-27(33)23(19(7)25(31)29(21)35)24-20(8)26(32)30(36)22(28(24)34)18(6)14-10-12-16(3)4/h11-12,17-18,35-36H,9-10,13-14H2,1-8H3/t17-,18-/m0/s1
> <INCHI_KEY>
QFOBPJPOYMETCQ-ROUUACIJSA-N
> <FORMULA>
C30H38O6
> <MOLECULAR_WEIGHT>
494.628
> <EXACT_MASS>
494.266838944
> <JCHEM_ACCEPTOR_COUNT>
6
> <JCHEM_ATOM_COUNT>
74
> <JCHEM_AVERAGE_POLARIZABILITY>
55.671879113674095
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
2
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2S)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone
> <JCHEM_LOGP>
6.813956036
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
2
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2
> <JCHEM_PKA>
6.281957696882795
> <JCHEM_PKA_STRONGEST_ACIDIC>
5.61501935666126
> <JCHEM_PKA_STRONGEST_BASIC>
-5.140580013292937
> <JCHEM_POLAR_SURFACE_AREA>
108.73999999999998
> <JCHEM_REFRACTIVITY>
147.0352
> <JCHEM_ROTATABLE_BOND_COUNT>
9
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2S)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0256560 (4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2s)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone)PDB for NP0256560 (4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2s)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone)HEADER PROTEIN 07-SEP-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 07-SEP-22 0 HETATM 1 C UNK 0 6.668 2.310 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 5.335 1.540 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 5.335 -0.000 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 4.001 2.310 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 2.667 1.540 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 2.667 -0.000 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 1.334 -0.770 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 0.000 0.000 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 2.667 -3.080 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 4.001 -2.310 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 4.001 -5.390 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 1.334 -6.930 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 0.000 -4.620 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -1.334 -5.390 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -1.334 -6.930 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -0.000 -7.700 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -2.667 -7.700 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 -2.667 -9.240 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 -4.001 -6.930 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 -5.335 -7.700 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 -4.001 -5.390 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -5.335 -4.620 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -5.335 -3.080 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 -6.668 -5.390 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -8.002 -4.620 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -9.336 -5.390 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -10.669 -4.620 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -12.003 -5.390 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -10.669 -3.080 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.667 -4.620 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 -2.667 -3.080 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 0.000 -3.080 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 -1.334 -2.310 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 CONECT 5 4 6 CONECT 6 5 7 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 35 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 14 CONECT 13 12 CONECT 14 12 15 16 CONECT 15 14 CONECT 16 14 17 35 CONECT 17 16 18 33 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 22 CONECT 21 20 CONECT 22 20 23 24 CONECT 23 22 CONECT 24 22 25 33 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 CONECT 28 27 29 CONECT 29 28 30 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 CONECT 33 24 17 34 CONECT 34 33 CONECT 35 16 9 36 CONECT 36 35 MASTER 0 0 0 0 0 0 0 0 36 0 74 0 END 3D PDB for NP0256560 (4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2s)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone)SMILES for NP0256560 (4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2s)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone)C[C@@H](CCC=C(C)C)C1=C(O)C(=O)C(C)=C(C1=O)C1=C(C)C(=O)C(O)=C([C@@H](C)CCC=C(C)C)C1=O INCHI for NP0256560 (4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2s)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone)InChI=1S/C30H38O6/c1-15(2)11-9-13-17(5)21-27(33)23(19(7)25(31)29(21)35)24-20(8)26(32)30(36)22(28(24)34)18(6)14-10-12-16(3)4/h11-12,17-18,35-36H,9-10,13-14H2,1-8H3/t17-,18-/m0/s1 Structure for NP0256560 (4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2s)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone)3D Structure for NP0256560 (4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2s)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C30H38O6 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 494.6280 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 494.26684 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | 4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2S)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | 4,4'-dihydroxy-6,6'-dimethyl-3,3'-bis[(2S)-6-methylhept-5-en-2-yl]-[1,1'-bi(cyclohexane)]-1(6),1'(6'),3,3'-tetraene-2,2',5,5'-tetrone | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | C[C@@H](CCC=C(C)C)C1=C(O)C(=O)C(C)=C(C1=O)C1=C(C)C(=O)C(O)=C([C@@H](C)CCC=C(C)C)C1=O | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C30H38O6/c1-15(2)11-9-13-17(5)21-27(33)23(19(7)25(31)29(21)35)24-20(8)26(32)30(36)22(28(24)34)18(6)14-10-12-16(3)4/h11-12,17-18,35-36H,9-10,13-14H2,1-8H3/t17-,18-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | QFOBPJPOYMETCQ-ROUUACIJSA-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 |
| |||||||||||||||||||||||||||||||||||||||||||||||||||