Solbar
PubChem CID: 16058483
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| Compound Synonyms | Solaquin, Solbar, PreSun 15, PreSun 46, (2S,5S,7S,14R,15R)-14-[(2R,3E,5R)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol, Eusolex-4360, Oxybenzone [USAN:INN], poriferasta-7,22-dien-3-ol, Person & Covey brand of oxybenzone, LMST01040252, (22E)-Stigmasta-7,22-dien-3-ol, (2-hydroxy-4-methoxyphenyl)phenyl-methanone, 5alpha -Stigmasta-7,22-dien-3beta (24R)--ol, Stigmasta-7,22-dien-3-ol, (3beta ,5alpha ,22E,24R)-, (3S,5S,10S,13R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Description | Oxybenzone is an organic compound used in sunscreens. It is a derivative of benzophenone. Chondrillasterol is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 674.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (3S,5S,10S,13R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Nih Violation | False |
| Class | Steroids and steroid derivatives |
| Xlogp | 8.3 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Stigmastanes and derivatives |
| Molecular Formula | C29H48O |
| Inchi Key | JZVFJDZBLUFKCA-YWVVXJOTSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | (2-hydroxy-4-methoxyphenyl)-phenylmethanone, (2-hydroxy-4-methoxyphenyl)(phenyl)methanone, (2-Hydroxy-4-methoxyphenyl)phenyl-methanone, (2-Hydroxy-4-methoxyphenyl)phenylmethanone, (22E)-Stigmasta-7,22-dien-3-ol, 2-Benzoyl-5-methoxyphenol, 2-hydroxy-4-methoxy benzophenone, 2-Hydroxy-4-methoxy-benzophenone, 2-hydroxy-4-methoxybenzophenone, 4-Methoxy-2-hydroxybenzophenone, 4-Methoxy-2-hydroxybenzophenone butyric acid, 5&alpha, -Stigmasta-7,22-dien-3&beta, -ol, (24R)-, 5alpha -Stigmasta-7,22-dien-3beta (24R)--ol, Advastab 45, Anuvex, benzophenone-3, Benzophenone, 2-hydroxy-4-methoxy-, Chimassorb 90, Chondrillasterol, Cyasorb UV 9, Cyasorb UV 9 Light Absorber, Durascreen, Escalol 567, Eusolex 4360, Eusolex-4360, HMBP, HMBP CPD, Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-, MOB, MOD, Ongrostab HMB, Oxibenzona, Oxibenzonum, Oxybenzon, Oxybenzone, Oxybenzone (usp/inn), Oxybenzone [usan:inn], Oxybenzonum, Person & covey brand of oxybenzone, Poriferasta-7,22-dien-3-ol, PreSun 15, PreSun 46, Solaquin, Solbar, Spectra-Sorb UV 9, Stigmasta-7,22-dien-3-ol, (3&beta, ,5&alpha, ,22E,24R)-, Sunscreen UV-15, Syntase 62, Uvinul 40, Uvinul 40 (TN), Uvinul 9, Uvinul M 40, Uvinul M-40, Uvinul M40, Uvistat 24, (2-Hydroxy-4-methoxyphenyl)(phenyl)methanone, (2-Hydroxy-4-methoxyphenyl)-phenylmethanone, 2-Hydroxy-4-methoxy benzophenone, 2-Hydroxy-4-methoxybenzophenone, Benzophenone-3, Cyasorb uv 9, Cyasorb uv 9 light absorber, Person & covey brand OF oxybenzone, Spectra-sorb uv 9, Sunscreen uv-15, Uvinul m 40, Uvinul m-40, Uvinul m40 |
| Compound Name | Solbar |
| Kingdom | Organic compounds |
| Exact Mass | 412.371 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 412.371 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 412.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21+,22+,23+,25-,26?,27?,28+,29-/m1/s1 |
| Smiles | CC[C@@H](/C=C/[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Stigmastanes and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all