Showing NP-Card for Peltatol B (NP0338146)
Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2024-09-11 14:02:15 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2024-09-11 14:02:15 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0338146 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Peltatol B | |||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0338146 (Peltatol B)Mrv2104 05262316342D 46 47 0 0 0 0 999 V2000 3.3809 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6677 2.9980 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 -2.1434 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8427 2.9980 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 7.1447 7.4250 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 7.1447 4.9500 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 7.8592 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 6.6000 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 7.8592 5.3625 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 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 4.1250 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 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.7125 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 7.8592 8.6625 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 7.8592 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.3000 0.0000 C 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 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 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 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 1 2 0 0 0 0 12 2 2 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 24 23 2 0 0 0 0 25 15 1 0 0 0 0 26 16 1 0 0 0 0 30 3 1 0 0 0 0 30 4 1 0 0 0 0 30 17 2 0 0 0 0 31 5 1 0 0 0 0 31 6 1 0 0 0 0 31 18 2 0 0 0 0 32 7 1 0 0 0 0 32 19 1 0 0 0 0 32 21 2 0 0 0 0 33 8 1 0 0 0 0 33 20 1 0 0 0 0 33 22 2 0 0 0 0 34 23 1 0 0 0 0 34 28 2 0 0 0 0 35 27 2 0 0 0 0 35 29 1 0 0 0 0 36 24 1 0 0 0 0 37 27 1 0 0 0 0 38 28 1 0 0 0 0 38 36 2 0 0 0 0 39 29 2 0 0 0 0 40 37 2 0 0 0 0 40 39 1 0 0 0 0 41 9 1 0 0 0 0 41 11 1 0 0 0 0 41 25 1 0 0 0 0 41 34 1 0 0 0 0 42 10 1 0 0 0 0 42 12 1 0 0 0 0 42 26 1 0 0 0 0 42 35 1 0 0 0 0 43 36 1 0 0 0 0 44 37 1 0 0 0 0 45 40 1 0 0 0 0 46 38 1 0 0 0 0 46 39 1 0 0 0 0 M END 3D SDF for NP0338146 (Peltatol B)Mrv2104 05262316342D 46 47 0 0 0 0 999 V2000 3.3809 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6677 2.9980 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 -2.1434 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0177 4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9684 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8427 2.9980 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 7.1447 7.4250 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 7.1447 4.9500 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 7.8592 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 6.6000 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 7.8592 5.3625 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 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 4.1250 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 2.8579 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 3.7125 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 7.8592 8.6625 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 7.8592 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.3000 0.0000 C 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 5.0013 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 3.3000 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 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 1 2 0 0 0 0 12 2 2 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 24 23 2 0 0 0 0 25 15 1 0 0 0 0 26 16 1 0 0 0 0 30 3 1 0 0 0 0 30 4 1 0 0 0 0 30 17 2 0 0 0 0 31 5 1 0 0 0 0 31 6 1 0 0 0 0 31 18 2 0 0 0 0 32 7 1 0 0 0 0 32 19 1 0 0 0 0 32 21 2 0 0 0 0 33 8 1 0 0 0 0 33 20 1 0 0 0 0 33 22 2 0 0 0 0 34 23 1 0 0 0 0 34 28 2 0 0 0 0 35 27 2 0 0 0 0 35 29 1 0 0 0 0 36 24 1 0 0 0 0 37 27 1 0 0 0 0 38 28 1 0 0 0 0 38 36 2 0 0 0 0 39 29 2 0 0 0 0 40 37 2 0 0 0 0 40 39 1 0 0 0 0 41 9 1 0 0 0 0 41 11 1 0 0 0 0 41 25 1 0 0 0 0 41 34 1 0 0 0 0 42 10 1 0 0 0 0 42 12 1 0 0 0 0 42 26 1 0 0 0 0 42 35 1 0 0 0 0 43 36 1 0 0 0 0 44 37 1 0 0 0 0 45 40 1 0 0 0 0 46 38 1 0 0 0 0 46 39 1 0 0 0 0 M END > <DATABASE_ID> NP0338146 > <DATABASE_NAME> NP-MRD > <SMILES> CC(C)=CCC\C(C)=C/CCC(C)(C=C)C1=CC(OC2=CC(=CC(O)=C2O)C(C)(CC\C=C(\C)CCC=C(C)C)C=C)=C(O)C=C1 > <INCHI_IDENTIFIER> InChI=1/C42H58O4/c1-11-41(9,25-15-21-32(7)19-13-17-30(3)4)34-23-24-36(43)38(28-34)46-39-29-35(27-37(44)40(39)45)42(10,12-2)26-16-22-33(8)20-14-18-31(5)6/h11-12,17-18,21-24,27-29,43-45H,1-2,13-16,19-20,25-26H2,3-10H3/b32-21-,33-22- > <INCHI_KEY> SRYUFQNDYPIUQF-PVZQIEDDNA-N > <FORMULA> C42H58O4 > <MOLECULAR_WEIGHT> 626.922 > <EXACT_MASS> 626.433510348 > <JCHEM_ACCEPTOR_COUNT> 3 > <JCHEM_ATOM_COUNT> 104 > <JCHEM_AVERAGE_POLARIZABILITY> 75.06579241901905 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 3 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> 3-{2-hydroxy-5-[(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]phenoxy}-5-[(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol > <JCHEM_LOGP> 12.572968032666667 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 10.216976868139183 > <JCHEM_PKA_STRONGEST_ACIDIC> 8.525214131882754 > <JCHEM_PKA_STRONGEST_BASIC> -3.7776748284821275 > <JCHEM_POLAR_SURFACE_AREA> 69.92 > <JCHEM_REFRACTIVITY> 200.0739 > <JCHEM_ROTATABLE_BOND_COUNT> 18 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> 3-{2-hydroxy-5-[(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]phenoxy}-5-[(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol > <JCHEM_VEBER_RULE> 0 $$$$ PDB for NP0338146 (Peltatol B)HEADER PROTEIN 26-MAY-23 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 26-MAY-23 0 HETATM 1 C UNK 0 6.311 0.976 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 14.313 5.596 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.335 -1.540 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.001 -3.850 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 13.337 16.940 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 16.004 16.940 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 1.334 -3.850 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 16.004 12.320 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 2.461 2.310 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 11.233 8.264 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 5.541 2.310 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 12.773 5.596 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 13.337 13.860 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 2.667 0.000 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 13.337 9.240 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -2.667 -1.540 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 14.671 14.630 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 0.000 -1.540 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 13.337 12.320 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 2.667 -1.540 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 14.671 10.010 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 2.667 4.620 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 2.667 6.160 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 4.001 0.770 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 13.337 7.700 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 10.669 4.620 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 5.335 4.620 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 9.336 6.930 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -4.001 -2.310 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 14.671 16.170 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 1.334 -2.310 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 14.671 11.550 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 4.001 3.850 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 10.669 6.160 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 4.001 6.930 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 9.336 3.850 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 5.335 6.160 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 8.002 6.160 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 8.002 4.620 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 4.001 2.310 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 12.003 6.930 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 4.001 8.470 0.000 0.00 0.00 O+0 HETATM 44 O UNK 0 9.336 2.310 0.000 0.00 0.00 O+0 HETATM 45 O UNK 0 6.668 3.850 0.000 0.00 0.00 O+0 HETATM 46 O UNK 0 6.668 6.930 0.000 0.00 0.00 O+0 CONECT 1 11 CONECT 2 12 CONECT 3 30 CONECT 4 30 CONECT 5 31 CONECT 6 31 CONECT 7 32 CONECT 8 33 CONECT 9 41 CONECT 10 42 CONECT 11 1 41 CONECT 12 2 42 CONECT 13 17 19 CONECT 14 18 20 CONECT 15 21 25 CONECT 16 22 26 CONECT 17 13 30 CONECT 18 14 31 CONECT 19 13 32 CONECT 20 14 33 CONECT 21 15 32 CONECT 22 16 33 CONECT 23 24 34 CONECT 24 23 36 CONECT 25 15 41 CONECT 26 16 42 CONECT 27 35 37 CONECT 28 34 38 CONECT 29 35 39 CONECT 30 3 4 17 CONECT 31 5 6 18 CONECT 32 7 19 21 CONECT 33 8 20 22 CONECT 34 23 28 41 CONECT 35 27 29 42 CONECT 36 24 38 43 CONECT 37 27 40 44 CONECT 38 28 36 46 CONECT 39 29 40 46 CONECT 40 37 39 45 CONECT 41 9 11 25 34 CONECT 42 10 12 26 35 CONECT 43 36 CONECT 44 37 CONECT 45 40 CONECT 46 38 39 MASTER 0 0 0 0 0 0 0 0 46 0 94 0 END SMILES for NP0338146 (Peltatol B)CC(C)=CCC\C(C)=C/CCC(C)(C=C)C1=CC(OC2=CC(=CC(O)=C2O)C(C)(CC\C=C(\C)CCC=C(C)C)C=C)=C(O)C=C1 INCHI for NP0338146 (Peltatol B)InChI=1/C42H58O4/c1-11-41(9,25-15-21-32(7)19-13-17-30(3)4)34-23-24-36(43)38(28-34)46-39-29-35(27-37(44)40(39)45)42(10,12-2)26-16-22-33(8)20-14-18-31(5)6/h11-12,17-18,21-24,27-29,43-45H,1-2,13-16,19-20,25-26H2,3-10H3/b32-21-,33-22- 3D Structure for NP0338146 (Peltatol B) | |||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C42H58O4 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 626.9220 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 626.43351 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | 3-{2-hydroxy-5-[(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]phenoxy}-5-[(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol | |||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | 3-{2-hydroxy-5-[(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]phenoxy}-5-[(6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol | |||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C)=CCC\C(C)=C/CCC(C)(C=C)C1=CC(OC2=CC(=CC(O)=C2O)C(C)(CC\C=C(\C)CCC=C(C)C)C=C)=C(O)C=C1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1/C42H58O4/c1-11-41(9,25-15-21-32(7)19-13-17-30(3)4)34-23-24-36(43)38(28-34)46-39-29-35(27-37(44)40(39)45)42(10,12-2)26-16-22-33(8)20-14-18-31(5)6/h11-12,17-18,21-24,27-29,43-45H,1-2,13-16,19-20,25-26H2,3-10H3/b32-21-,33-22- | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | SRYUFQNDYPIUQF-PVZQIEDDNA-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 | Not Available |