5beta,19-Epoxy-19-methoxycucurbita-6,23(E)-diene-3beta,25-diol
PubChem CID: 157009821
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5beta,19-Epoxy-19-methoxycucurbita-6,23(E)-diene-3beta,25-diol |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | LZKVXEZYUAJCDF-UQHQDSPHSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 5beta,19-Epoxy-19-methoxycucurbita-6,23-diene-3beta,25-diol |
| Heavy Atom Count | 35.0 |
| Compound Name | 5beta,19-Epoxy-19-methoxycucurbita-6,23(E)-diene-3beta,25-diol |
| Description | 5beta,19-epoxy-19-methoxycucurbita-6,23(e)-diene-3beta,25-diol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5beta,19-epoxy-19-methoxycucurbita-6,23(e)-diene-3beta,25-diol can be found in bitter gourd, which makes 5beta,19-epoxy-19-methoxycucurbita-6,23(e)-diene-3beta,25-diol a potential biomarker for the consumption of this food product. |
| Exact Mass | 486.371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 486.371 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 906.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 486.7 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 9.0 |
| Iupac Name | (1R,4S,5S,8R,9R,13S,16S,19R)-8-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-19-methoxy-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C31H50O4/c1-20(10-9-15-26(2,3)33)21-13-16-29(7)22-14-17-31-23(11-12-24(32)27(31,4)5)30(22,25(34-8)35-31)19-18-28(21,29)6/h9,14-15,17,20-25,32-33H,10-13,16,18-19H2,1-8H3/b15-9+/t20-,21-,22+,23+,24+,25-,28-,29+,30?,31-/m1/s1 |
| Smiles | C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CCC34[C@H]2C=C[C@]5([C@H]3CC[C@@H](C5(C)C)O)O[C@H]4OC)C)C |
| Xlogp | 6.2 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C31H50O4 |
- 1. Outgoing r'ship
FOUND_INto/from Momordica Charantia (Plant) Rel Props:Source_db:fooddb_chem_all