Ramonanin C, (rel)-
PubChem CID: 53355806
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| Compound Synonyms | Ramonanin C, (rel)-, CHEBI:68067, Ramonanin C, CHEMBL1782127, Q27136560 |
|---|---|
| Topological Polar Surface Area | 136.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | GVLSMMAPMUCRRO-POAYWABDSA-N |
| Rotatable Bond Count | 8.0 |
| Heavy Atom Count | 50.0 |
| Compound Name | Ramonanin C, (rel)- |
| Exact Mass | 680.262 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 680.262 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1220.0 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 680.7 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | 2-methoxy-4-[(1S,2'R,3R,5'S,6R)-1,3,5'-tris(4-hydroxy-3-methoxyphenyl)-3'-methylidenespiro[3,4,5,7-tetrahydro-1H-2-benzofuran-6,4'-oxolane]-2'-yl]phenol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C40H40O10/c1-21-36(22-6-10-28(41)32(16-22)45-2)50-39(25-9-13-31(44)35(19-25)48-5)40(21)15-14-26-27(20-40)38(24-8-12-30(43)34(18-24)47-4)49-37(26)23-7-11-29(42)33(17-23)46-3/h6-13,16-19,36-39,41-44H,1,14-15,20H2,2-5H3/t36-,37+,38-,39-,40+/m0/s1 |
| Smiles | COC1=C(C=CC(=C1)[C@@H]2C(=C)[C@]3(CCC4=C(C3)[C@@H](O[C@@H]4C5=CC(=C(C=C5)O)OC)C6=CC(=C(C=C6)O)OC)[C@@H](O2)C7=CC(=C(C=C7)O)OC)O |
| Xlogp | 5.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C40H40O10 |
- 1. Outgoing r'ship
FOUND_INto/from Guaiacum Officinale (Plant) Rel Props:Source_db:npass_chem_all