ST 28:1
PubChem CID: 131751946
Connections displayed (default: 10).
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| Compound Synonyms | ST 28:1, O, Hex, FA 18:1 |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | SZVZHAIFWPRDNE-NXVVXOECSA-N |
| Rotatable Bond Count | 25.0 |
| Synonyms | (3b,24R)-Ergost-5-en-3-ol O-[6-O-(9Z-octadecenoyl)-b-D-glucopyranoside], 7,14-Diazadispiro(5.1.5.2)pentadecan-15-one, 7,14-Diazadispiro[5.1.5.2]pentadecan-15-one, Campesterol 6'-(9Z-octadecenoyl)-glucoside, Campesterol O-[6-O-(9Z-octadecenoyl)-b-D-glucopyranoside], Campesterol O-[6-O-(9Z-octadecenoyl)-b-D-glucoside] |
| Heavy Atom Count | 59.0 |
| Compound Name | ST 28:1, O, Hex, FA 18:1 |
| Description | Constituent of peach seeds. Campesterol 6'-(9Z-octadecenoyl)-glucoside is found in fruits and peach. |
| Exact Mass | 826.669 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 826.669 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1310.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 827.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [6-[[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-octadec-9-enoate |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 1.0 |
| Inchi | InChI=1S/C52H90O7/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-46(53)57-35-45-47(54)48(55)49(56)50(59-45)58-40-30-32-51(6)39(34-40)26-27-41-43-29-28-42(52(43,7)33-31-44(41)51)38(5)25-24-37(4)36(2)3/h15-16,26,36-38,40-45,47-50,54-56H,8-14,17-25,27-35H2,1-7H3/b16-15- |
| Smiles | CCCCCCCC/C=C\CCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(C)C(C)C)C)C)O)O)O |
| Xlogp | 14.7 |
| Defined Bond Stereocenter Count | 1.0 |
| Molecular Formula | C52H90O7 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:fooddb_chem_all