|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
24
Total Number of Articles : 16
|
| PubChem |
99514
|
| Molecular Formula |
C20H30O3 |
| SMILES |
C[C@]12CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)CC2=O)(C)C(=O)O)C |
| InChI |
InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1 |
| synonyms |
- Isosteviol
- 27975-19-5
- iso-steviol
- (-)-Isosteviol
- Ketoisostevic Acid
- CCRIS 6121
- NSC 231875
- UNII-091QB7QO95
- ent-16-ketobeyeran-19-oic acid
- 091QB7QO95
- 17-Nor-8-beta,13-beta-kauran-18-oic acid, 13-methyl-16-oxo-
- (4-alpha,8-beta,13-beta)-13-Methyl-16-oxo-17-norkauran-18-oic acid
- 17-Norkauran-18-oic acid, 13-methyl-16-oxo-, (4-alpha,8-beta,13-beta)-
- NSC-231875
- (4R,4aS,6aR,9S,11aR,11bS)-4,9,11b-Trimethyl-8-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
- 17-Norkauran-18-oic acid, 13-methyl-16-oxo-, (4a,8b,13b)-
- 16-oxobeyeran-18-oic acid
- CHEMBL462653
- SCHEMBL3489810
- DTXSID70950664
- CHEBI:189936
- KFVUFODCZDRVSS-XGBBNYNSSA-N
- HY-N0872
- BDBM50504374
- MFCD28411514
- NSC731915
- s3905
- STL566083
- AKOS030496339
- CCG-267685
Click to show/hide the synonyms
|
| Properties |
| Property |
Value |
| MW |
318.4 g/mol |
| HBD |
1 |
| HBA |
3 |
| Rotatable Bond Count |
1 |
| Exact Mass |
318.21949481 g/mol |
| Monoisotopic Mass |
318.21949481 g/mol |
| Heavy Atom Count |
23 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
6 |
| Covalent Unit Count |
1 |
| Complexity |
583 |
| xlogp |
4.3 |
| Topological Polar Surface Area |
54.4 |
|