TL;DR: Pulcherralpin (CAS 105389-29-5) is a chemical compound with molecular formula C30H40O7 and molecular weight 512.2774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,2S,4aS,4bR,8aR,9R,10R,10aS)-8a,10-dihydroxy-2-(2-methoxy-2-oxoethyl)-1,4b,8,8-tetramethyl-3-oxo-1,2,4,4a,5,6,7,9,10,10a-decahydrophenanthren-9-yl] (E)-3-phenylprop-2-enoate
Also Known As: Pulcherralpin, [(1R,2S,4aS,4bR,8aR,9R,10R,10aS)-8a,10-dihydroxy-2-(2-methoxy-2-oxoethyl)-1,4b,8,8-tetramethyl-3-oxo-1,2,4,4a,5,6,7,9,10,10a-decahydrophenanthren-9-yl] (E)-3-phenylprop-2-enoate, 2-Phenanthreneacetic acid, tetradecahydro-8a,10-dihydroxy-1,4b,8,8-tetramethyl-3-oxo-9-((1-oxo-3-phenyl-2-propenyl)oxy)-, methyl ester, (1R-(1alpha,2beta,4aalpha,4bbeta,8aalpha,9beta(E),10beta,10abeta))-, ((1R,2S,4aS,4bR,8aR,9R,10R,10aS)-8a,10-dihydroxy-2-(2-methoxy-2-oxoethyl)-1,4b,8,8-tetramethyl-3-oxo-1,2,4,4a,5,6,7,9,10,10a-decahydrophenanthren-9-yl) (E)-3-phenylprop-2-enoate
| Molecular Formula | C30H40O7 |
| Molecular Weight | 512.2774 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.2774 Da |
| Heavy Atoms | 37 |
| Complexity | 919.0 |
| SMILES | C[C@H]1[C@@H](C(=O)C[C@H]2[C@H]1[C@H]([C@H]([C@@]3([C@@]2(CCCC3(C)C)C)O)OC(=O)/C=C/C4=CC=CC=C4)O)CC(=O)OC |
| InChIKey | QDVSQQYDMLUPGR-OFYFIDOVSA-N |
The XLogP value of 4.1 indicates that Pulcherralpin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pulcherralpin. Following Lipinski's Rule of Five, Pulcherralpin has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Pulcherralpin is 105389-29-5.
The molecular formula of Pulcherralpin is C30H40O7.
The molecular weight of Pulcherralpin is 512.2774 g/mol.
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