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Catalog Number | ACM189322676 |
CAS Number | 189322-67-6 |
Synonyms | C-3'-Hydroxyrocaglamide |
IUPAC Name | (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide |
Molecular Weight | 521.56 |
Molecular Formula | C29H31NO8 |
Canonical SMILES | CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC(=C(C=C4)OC)O)C5=CC=CC=C5 |
InChI | InChI=1S/C29H31NO8/c1-30(2)27(33)23-24(16-9-7-6-8-10-16)29(17-11-12-20(36-4)19(31)13-17)28(34,26(23)32)25-21(37-5)14-18(35-3)15-22(25)38-29/h6-15,23-24,26,31-32,34H,1-5H3/t23-,24-,26-,28+,29+/m1/s1 |
InChI Key | VOSHNPGEFUCUHH-IDAMAFBJSA-N |
Boiling Point | 704.8±60.0 °C |
Purity | 98% |
Density | 1.368±0.06 g/ml |
Appearance | Solid |
Complexity | 850 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 5 |
Exact Mass | 521.20496695 |
Heavy Atom Count | 38 |
Hydrogen Bond Acceptor Count | 8 |
Hydrogen Bond Donor Count | 3 |
Isomeric SMILES | CN(C)C(=O)[C@@H]1[C@H]([C@]2([C@@]([C@@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC(=C(C=C4)OC)O)C5=CC=CC=C5 |
Monoisotopic Mass | 521.20496695 |
PhysicalState | Powder |
Rotatable Bond Count | 6 |
Topological Polar Surface Area | 118 Ų |
What is the chemical formula for 3'-Hydroxyrocaglamide?
The chemical formula for 3'-Hydroxyrocaglamide is C29H31NO8.
What is the molecular weight of 3'-Hydroxyrocaglamide?
The molecular weight of 3'-Hydroxyrocaglamide is 521.56.
What is the CAS number for 3'-Hydroxyrocaglamide?
The CAS number for 3'-Hydroxyrocaglamide is 189322-67-6.
What are some synonyms for 3'-Hydroxyrocaglamide?
Some synonyms for 3'-Hydroxyrocaglamide are C-3'-Hydroxyrocaglamide, Rocaglamide C, and Rocaglamide D.
What is the boiling point of 3'-Hydroxyrocaglamide?
The boiling point of 3'-Hydroxyrocaglamide is predicted to be 704.8±60.0°C.
In what solvents is 3'-Hydroxyrocaglamide soluble in?
3'-Hydroxyrocaglamide is soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.
What is the physical form of 3'-Hydroxyrocaglamide?
The physical form of 3'-Hydroxyrocaglamide is a white to off-white sticky solid.
What is the predicted pka value of 3'-Hydroxyrocaglamide?
The predicted pka value of 3'-Hydroxyrocaglamide is 9.85±0.10.
What is Rocaglamide C used for?
Rocaglamide C is a derivative of Rocaglamide.
How can 3'-Hydroxyrocaglamide be classified based on its chemical properties?
3'-Hydroxyrocaglamide can be classified as a white to off-white sticky solid, soluble in various solvents including Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, with a predicted pka value of 9.85±0.10.
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