Ganoderiol A
PubChem CID: 100927467
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| Compound Synonyms | Ganoderiol A, Ganoderiol A, (+)-, (+)-Ganoderiol A, MH91L4SN2J, UNII-MH91L4SN2J, 106518-61-0, (3beta,24S)-Lanosta-7,9(11)-diene-3,24,25,26-tetrol, Lanosta-7,9(11)-diene-3,24,25,26-tetrol, (3beta,24S)-, (3S,6R)-6-[(3S,5R,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]-2-methylheptane-1,2,3-triol, (3.BETA.,24S)-LANOSTA-7,9(11)-DIENE-3,24,25,26-TETROL, LANOSTA-7,9(11)-DIENE-3,24,25,26-TETROL, (3.BETA.,24S)-, (3S,6R)-6-((3S,5R,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)-2-methylheptane-1,2,3-triol, CHEBI:175748, AKOS040751893, Q27896974 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | VMEFPSOTFFVAQJ-OBGNTNONSA-N |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 34.0 |
| Compound Name | Ganoderiol A |
| Exact Mass | 474.371 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 474.371 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 860.0 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 474.7 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (3S,6R)-6-[(3S,5R,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]-2-methylheptane-1,2,3-triol |
| Total Atom Stereocenter Count | 9.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C30H50O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23-25,31-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,24+,25+,27-,28-,29+,30?/m1/s1 |
| Smiles | C[C@H](CC[C@@H](C(C)(CO)O)O)[C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C |
| Xlogp | 5.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C30H50O4 |
- 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: