Lucidenic acid E
PubChem CID: 23247892
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| Compound Synonyms | Lucidenic acid E, 98665-17-9, Lucidenic acid E2, Lucidenic acid E-2, LucidenicacidE, 9JL816P10I, UNII-9JL816P10I, (4R)-4-[(3S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid, CHOL-8-EN-24-oic acid, 12-(acetyloxy)-3-hydroxy-4,4,14-trimethyl-7,11,15-trioxo-, (3beta,5alpha,12beta)-, ludicenic acid E2, CHEMBL468250, CHEBI:169459, DTXSID101316825, C29H40O8, AKOS032945988, DA-75143, HY-107265, CS-0027813, D85041, Q27896431, CHOL-8-EN-24-OIC ACID, 12-(ACETYLOXY)-3-HYDROXY-4,4,14-TRIMETHYL-7,11,15-TRIOXO-, (3.BETA.,5.ALPHA.,12.BETA.)- |
|---|---|
| Topological Polar Surface Area | 135.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | ASPCIAWQVXVATP-VWXYMJEFSA-N |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 37.0 |
| Compound Name | Lucidenic acid E |
| Exact Mass | 516.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 516.272 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1120.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 516.6 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (4R)-4-[(3S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C29H40O8/c1-14(8-9-21(34)35)16-12-20(33)29(7)22-17(31)13-18-26(3,4)19(32)10-11-27(18,5)23(22)24(36)25(28(16,29)6)37-15(2)30/h14,16,18-19,25,32H,8-13H2,1-7H3,(H,34,35)/t14-,16-,18+,19+,25-,27+,28+,29+/m1/s1 |
| Smiles | C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)OC(=O)C)C)C |
| Xlogp | 2.8 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C29H40O8 |
- 1. Outgoing r'ship
FOUND_INto/from Archidendron Lucidum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Erythroxylon Lucidum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Ligusticum Lucidum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Ligustrum Lucidum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Onychium Lucidum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Stenostomum Lucidum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Thalictrum Lucidum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Trachelospermum Lucidum (Plant) Rel Props:Reference: