24(E)-Ethylidenecholest-5-en-3beta-ol
PubChem CID: 131750945
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| Compound Synonyms | Fucosterol, trans-D5-Avenosterol, (24E)-Ethylidenecholesterol, (E)-24-Ethylidenecholesterol, Stigmasta-5,24(28)-dien-3beta (E)--ol, (E)-Stigmasta-5,24(28)-dien-3b-ol, 24(E)-Ethylidenecholest-5-en-3beta -ol, (3b,24E)-Stigmasta-5,24(28)-dien-3-ol, Stigmasta-5,24(28)-dien-3-ol, (3beta ,24E)- |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Description | Characteristic sterol of seaweeds, isolated from bladderwrack Fucus vesiculosus. Fucosterol is found in lemon grass and coconut. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 686.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3S,10R,13R)-10,13-dimethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Nih Violation | False |
| Class | Steroids and steroid derivatives |
| Xlogp | 8.9 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Stigmastanes and derivatives |
| Molecular Formula | C29H48O |
| Inchi Key | OSELKOCHBMDKEJ-ZMRGBFEOSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | (24E)-Ethylidenecholesterol, (3b,24E)-Stigmasta-5,24(28)-dien-3-ol, (E)-24-Ethylidenecholesterol, (E)-Stigmasta-5,24(28)-dien-3b-ol, 24(E)-Ethylidenecholest-5-en-3&beta, -ol, 24(e)-Ethylidenecholest-5-en-3beta -ol, Fucosterin, Fucosterol, Stigmasta-5,24(28)-dien-3-ol, (3&beta, ,24E)-, Stigmasta-5,24(28)-dien-3&beta, -ol, (E)-, Stigmasta-5,24(28)-dien-3beta (e)--ol, trans-24-Ethylidenecholesterol, trans-D5-Avenosterol, (e)-24-Ethylidenecholesterol, (e)-Stigmasta-5,24(28)-dien-3b-ol, (24E)-24-N-Propylidenecholesterol, delta(5)-Avenasterol, Stigmasta-5,24-dien-3 beta-ol, 24-Isoethylidenecholest-5-en-3 beta-ol,delta(5)-avenasterol, 24Z-Ethylidenecholest-5-en-3b-ol, 28-Isofucosterol, Fucosterol, (3beta)-isomer, Fucosterol, 28-(14)C-labeled CPD, (e)-isomer |
| Compound Name | 24(E)-Ethylidenecholest-5-en-3beta-ol |
| 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 | 8.0 |
| 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/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1 |
| Smiles | C/C=C(\CC[C@@H](C)C1CCC2[C@@]1(CCC3C2CC=C4[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 Cocos Nucifera (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cymbopogon Citratus (Plant) Rel Props:Source_db:fooddb_chem_all