(1R,3S)-1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one
PubChem CID: 162860107
Connections displayed (default: 10).
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| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 480.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,3S)-1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.2 |
| Molecular Formula | C20H32O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WOZZLCINBFOCBN-OXJNMPFZSA-N |
| Fcsp3 | 0.75 |
| Logs | -4.907 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.341 |
| Compound Name | (1R,3S)-1,18-dihydroxy-3-methyl-2-oxabicyclo[14.4.0]icosa-16,18-dien-20-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 336.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9060264 |
| Inchi | InChI=1S/C20H32O4/c1-16-12-10-8-6-4-2-3-5-7-9-11-13-17-14-18(21)15-19(22)20(17,23)24-16/h14-16,21,23H,2-13H2,1H3/t16-,20+/m0/s1 |
| Smiles | C[C@H]1CCCCCCCCCCCCC2=CC(=CC(=O)[C@@]2(O1)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynoglossum Officinale (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ipomoea Batatas (Plant) Rel Props:Source_db:cmaup_ingredients