Friedelanol
PubChem CID: 348029
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| Compound Synonyms | Friedelanol, Friedelan-3.alpha.-ol, D:A-Friedooleanan-3.alpha.-ol, 5085-72-3, D:A-Friedooleanan-3-ol, (3.alpha.)-, XCDQFROEGGNAER-UHFFFAOYSA-N, FAA08572, NSC407041, NSC-407041, 4,4a,6b,8a,11,11,12b,14a-Octamethyldocosahydro-3-picenol #, 4,4A,6B,8A,11,11,12B,14A-OCTAMETHYL-HEXADECAHYDROPICEN-3-OL |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 741.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol |
| Prediction Hob | 0.0 |
| Class | Prenol lipids |
| Xlogp | 10.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Triterpenoids |
| Molecular Formula | C30H52O |
| Prediction Swissadme | 0.0 |
| Inchi Key | XCDQFROEGGNAER-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.749 |
| Rotatable Bond Count | 0.0 |
| Logd | 5.746 |
| Synonyms | 3beta-Friedelinol, Friedelinol, Epifriedelanol, Friedelinol, (3beta)-isomer, Epi-friedelinol |
| Compound Name | Friedelanol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 428.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 428.402 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 428.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Esol | -8.848619000000003 |
| Inchi | InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3 |
| Smiles | CC1C(CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all