Showing NP-Card for (-)-Alstiphyllanine B (NP0081320)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2022-04-29 02:17:02 UTC | |||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2022-04-29 02:17:02 UTC | |||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0081320 | |||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | (-)-Alstiphyllanine B | |||||||||||||||||||||||||||||||||||||||||||||
| Description | Not Available | |||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0081320 ((-)-Alstiphyllanine B)
Mrv1652304292204172D
43 49 0 0 1 0 999 V2000
3.0513 -0.4607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6670 0.3048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4175 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4960 1.4687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2465 1.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9185 1.3326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3251 2.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6531 3.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7317 3.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4822 4.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 3.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0756 2.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5607 5.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3112 5.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0597 4.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1383 5.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3524 1.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8556 1.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5346 1.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2200 1.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8773 0.0129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0544 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4469 0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6265 1.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9621 -0.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6993 -1.4152 0.0000 N 0 0 2 0 0 0 0 0 0 0 0 0
2.6264 -1.2343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8180 -2.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3698 -1.6126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7913 -0.8594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6120 -0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1832 -0.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9843 -0.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2142 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6430 -1.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8419 -1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1664 -1.9569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2680 -2.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5556 0.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3567 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4219 -1.6990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0981 -0.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3412 -2.1584 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 1 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
7 12 1 0 0 0 0
10 13 1 0 0 0 0
13 14 1 0 0 0 0
9 15 1 0 0 0 0
15 16 1 0 0 0 0
2 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
22 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
1 27 1 6 0 0 0
27 28 1 6 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
1 30 1 0 0 0 0
30 31 1 1 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
31 36 1 0 0 0 0
36 37 1 0 0 0 0
29 37 1 0 0 0 0
37 38 1 0 0 0 0
33 39 1 0 0 0 0
39 40 1 0 0 0 0
29 41 1 0 0 0 0
26 41 1 0 0 0 0
41 42 1 6 0 0 0
21 42 1 0 0 0 0
26 43 1 1 0 0 0
M END
3D SDF for NP0081320 ((-)-Alstiphyllanine B)
Mrv1652304292204172D
43 49 0 0 1 0 999 V2000
3.0513 -0.4607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6670 0.3048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4175 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4960 1.4687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2465 1.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9185 1.3326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3251 2.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6531 3.1112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7317 3.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4822 4.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 3.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0756 2.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5607 5.0963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3112 5.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0597 4.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1383 5.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3524 1.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8556 1.7213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5346 1.1764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2200 1.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8773 0.0129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0544 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4469 0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6265 1.2146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9621 -0.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6993 -1.4152 0.0000 N 0 0 2 0 0 0 0 0 0 0 0 0
2.6264 -1.2343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8180 -2.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3698 -1.6126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7913 -0.8594 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6120 -0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1832 -0.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9843 -0.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2142 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6430 -1.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8419 -1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1664 -1.9569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2680 -2.7756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5556 0.3477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3567 0.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4219 -1.6990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0981 -0.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3412 -2.1584 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 1 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
7 12 1 0 0 0 0
10 13 1 0 0 0 0
13 14 1 0 0 0 0
9 15 1 0 0 0 0
15 16 1 0 0 0 0
2 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
22 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
1 27 1 6 0 0 0
27 28 1 6 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
1 30 1 0 0 0 0
30 31 1 1 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
31 36 1 0 0 0 0
36 37 1 0 0 0 0
29 37 1 0 0 0 0
37 38 1 0 0 0 0
33 39 1 0 0 0 0
39 40 1 0 0 0 0
29 41 1 0 0 0 0
26 41 1 0 0 0 0
41 42 1 6 0 0 0
21 42 1 0 0 0 0
26 43 1 1 0 0 0
M END
> <DATABASE_ID>
NP0081320
> <DATABASE_NAME>
NP-MRD
> <SMILES>
COC(=O)[C@]1(COC(=O)C2=CC(OC)=C(OC)C=C2)[C@H]2[C@@H]3O[C@@]4([C@@H]5C[C@H]1\C(C[N@]35C)=C/C)[C@@H]2C1=CC(OC)=CC=C1N4C
> <INCHI_IDENTIFIER>
InChI=1S/C33H39N2O8/c1-8-18-16-35(3)26-15-22(18)32(31(37)41-7,17-42-30(36)19-9-12-24(39-5)25(13-19)40-6)28-27-21-14-20(38-4)10-11-23(21)34(2)33(26,27)43-29(28)35/h8-14,22,26-29H,15-17H2,1-7H3/b18-8-/t22-,26-,27+,28+,29-,32-,33-/m0/s1
> <INCHI_KEY>
FQNVVIFYCSEBAW-UQOJAPRJSA-N
> <FORMULA>
C33H39N2O8
> <MOLECULAR_WEIGHT>
591.681
> <EXACT_MASS>
591.270641224
> <JCHEM_ACCEPTOR_COUNT>
0
> <JCHEM_ATOM_COUNT>
82
> <JCHEM_AVERAGE_POLARIZABILITY>
64.21722067448977
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
0
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
methyl (1R,9S,10S,11S,12S,14E,15S,17S,19S)-19-[(3,4-dimethoxybenzoyloxy)methyl]-14-ethylidene-6-methoxy-2,12-dimethyl-18-oxa-2,12lambda4-diazahexacyclo[9.6.1.1^{10,15}.0^{1,9}.0^{3,8}.0^{12,17}]nonadeca-3,5,7-triene-19-carboxylate
> <ALOGPS_LOGP>
3.18
> <ALOGPS_LOGS>
-5.38
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
7
> <JCHEM_POLAR_SURFACE_AREA>
92.76
> <JCHEM_REFRACTIVITY>
170.00769999999994
> <JCHEM_ROTATABLE_BOND_COUNT>
9
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
2.45e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
methyl (1R,9S,10S,11S,12S,14E,15S,17S,19S)-19-[(3,4-dimethoxybenzoyloxy)methyl]-14-ethylidene-6-methoxy-2,12-dimethyl-18-oxa-2,12lambda4-diazahexacyclo[9.6.1.1^{10,15}.0^{1,9}.0^{3,8}.0^{12,17}]nonadeca-3,5,7-triene-19-carboxylate
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0081320 ((-)-Alstiphyllanine B)HEADER PROTEIN 29-APR-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 29-APR-22 0 HETATM 1 C UNK 0 5.696 -0.860 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 4.978 0.569 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 6.379 1.209 0.000 0.00 0.00 C+0 HETATM 4 O UNK 0 6.526 2.742 0.000 0.00 0.00 O+0 HETATM 5 C UNK 0 7.927 3.381 0.000 0.00 0.00 C+0 HETATM 6 O UNK 0 9.181 2.488 0.000 0.00 0.00 O+0 HETATM 7 C UNK 0 8.073 4.914 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 6.819 5.808 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 6.966 7.341 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 8.367 7.980 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 9.621 7.087 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 9.474 5.554 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 8.513 9.513 0.000 0.00 0.00 O+0 HETATM 14 C UNK 0 9.914 10.153 0.000 0.00 0.00 C+0 HETATM 15 O UNK 0 5.711 8.234 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 5.858 9.767 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 4.391 1.993 0.000 0.00 0.00 C+0 HETATM 18 O UNK 0 5.330 3.213 0.000 0.00 0.00 O+0 HETATM 19 O UNK 0 2.865 2.196 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 2.277 3.620 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 3.504 0.024 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 1.968 -0.278 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 0.834 0.764 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 1.170 2.267 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 1.796 -1.847 0.000 0.00 0.00 C+0 HETATM 26 N UNK 0 3.172 -2.642 0.000 0.00 0.00 N+0 HETATM 27 C UNK 0 4.903 -2.304 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 5.260 -4.042 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 6.290 -3.010 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 7.077 -1.604 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 8.609 -1.205 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 9.675 -0.094 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 11.171 -0.462 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 11.600 -1.941 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 10.534 -3.052 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 9.038 -2.684 0.000 0.00 0.00 C+0 HETATM 37 N UNK 0 7.777 -3.653 0.000 0.00 0.00 N+0 HETATM 38 C UNK 0 7.967 -5.181 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 12.237 0.649 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 13.732 0.281 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 4.521 -3.172 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 3.916 -1.526 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 2.504 -4.029 0.000 0.00 0.00 C+0 CONECT 1 2 27 30 CONECT 2 1 3 17 21 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 12 CONECT 8 7 9 CONECT 9 8 10 15 CONECT 10 9 11 13 CONECT 11 10 12 CONECT 12 11 7 CONECT 13 10 14 CONECT 14 13 CONECT 15 9 16 CONECT 16 15 CONECT 17 2 18 19 CONECT 18 17 CONECT 19 17 20 CONECT 20 19 CONECT 21 2 22 42 CONECT 22 21 23 25 CONECT 23 22 24 CONECT 24 23 CONECT 25 22 26 CONECT 26 25 27 41 43 CONECT 27 26 1 28 CONECT 28 27 29 CONECT 29 28 30 37 41 CONECT 30 29 1 31 CONECT 31 30 32 36 CONECT 32 31 33 CONECT 33 32 34 39 CONECT 34 33 35 CONECT 35 34 36 CONECT 36 35 31 37 CONECT 37 36 29 38 CONECT 38 37 CONECT 39 33 40 CONECT 40 39 CONECT 41 29 26 42 CONECT 42 41 21 CONECT 43 26 MASTER 0 0 0 0 0 0 0 0 43 0 98 0 END SMILES for NP0081320 ((-)-Alstiphyllanine B)COC(=O)[C@]1(COC(=O)C2=CC(OC)=C(OC)C=C2)[C@H]2[C@@H]3O[C@@]4([C@@H]5C[C@H]1\C(C[N@]35C)=C/C)[C@@H]2C1=CC(OC)=CC=C1N4C INCHI for NP0081320 ((-)-Alstiphyllanine B)InChI=1S/C33H39N2O8/c1-8-18-16-35(3)26-15-22(18)32(31(37)41-7,17-42-30(36)19-9-12-24(39-5)25(13-19)40-6)28-27-21-14-20(38-4)10-11-23(21)34(2)33(26,27)43-29(28)35/h8-14,22,26-29H,15-17H2,1-7H3/b18-8-/t22-,26-,27+,28+,29-,32-,33-/m0/s1 3D Structure for NP0081320 ((-)-Alstiphyllanine B) | |||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C33H39N2O8 | |||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 591.6810 Da | |||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 591.27064 Da | |||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | methyl (1R,9S,10S,11S,12S,14E,15S,17S,19S)-19-[(3,4-dimethoxybenzoyloxy)methyl]-14-ethylidene-6-methoxy-2,12-dimethyl-18-oxa-2,12lambda4-diazahexacyclo[9.6.1.1^{10,15}.0^{1,9}.0^{3,8}.0^{12,17}]nonadeca-3,5,7-triene-19-carboxylate | |||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | methyl (1R,9S,10S,11S,12S,14E,15S,17S,19S)-19-[(3,4-dimethoxybenzoyloxy)methyl]-14-ethylidene-6-methoxy-2,12-dimethyl-18-oxa-2,12lambda4-diazahexacyclo[9.6.1.1^{10,15}.0^{1,9}.0^{3,8}.0^{12,17}]nonadeca-3,5,7-triene-19-carboxylate | |||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||
| SMILES | COC(=O)[C@]1(COC(=O)C2=CC(OC)=C(OC)C=C2)[C@H]2[C@@H]3O[C@@]4([C@@H]5C[C@H]1\C(C[N@]35C)=C/C)[C@@H]2C1=CC(OC)=CC=C1N4C | |||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C33H39N2O8/c1-8-18-16-35(3)26-15-22(18)32(31(37)41-7,17-42-30(36)19-9-12-24(39-5)25(13-19)40-6)28-27-21-14-20(38-4)10-11-23(21)34(2)33(26,27)43-29(28)35/h8-14,22,26-29H,15-17H2,1-7H3/b18-8-/t22-,26-,27+,28+,29-,32-,33-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | FQNVVIFYCSEBAW-UQOJAPRJSA-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 |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||
| External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||
| General References | Not Available | |||||||||||||||||||||||||||||||||||||||||||||