2-[(4R)-4-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylidene]propane-1,3-diol
PubChem CID: 163746
Connections displayed (default: 10).
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| Compound Synonyms | Ganodermatriol, 2-[(4R)-4-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylidene]propane-1,3-diol, 105300-28-5, Lanosta-7,9(11),24-triene-3,26,27-triol, DTXSID70909415 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | LIJZGBVDQCTWLG-KJICSUBBSA-N |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 33.0 |
| Compound Name | 2-[(4R)-4-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylidene]propane-1,3-diol |
| Exact Mass | 456.36 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 456.36 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 845.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 456.7 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | 2-[(4R)-4-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentylidene]propane-1,3-diol |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C30H48O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25-26,31-33H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25?,26+,28-,29-,30+/m1/s1 |
| Smiles | C[C@H](CCC=C(CO)CO)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C |
| Xlogp | 6.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C30H48O3 |
- 1. Outgoing r'ship
FOUND_INto/from Archidendron Lucidum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Chrysanthemum Sinense (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Erythroxylon Lucidum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Ligusticum Lucidum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Ligusticum Sinense (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Ligustrum Lucidum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Ligustrum Sinense (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Limonium Sinense (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Onychium Lucidum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Stenostomum Lucidum (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Tetracentron Sinense (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Thalictrum Lucidum (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Trachelospermum Lucidum (Plant) Rel Props:Reference: