Linderaspirone A
PubChem CID: 46867458
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| Compound Synonyms | Linderaspirone A, 1235126-46-1, Dispiro[4.3.4.3]hexadeca-2,6,11,14-tetraene-1,4,10,13-tetrone, 2,3,6,11,12,14-hexamethoxy-8,16-diphenyl-, (8R,16R)-rel-, (6R,7E,14R,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone, HY-N3380, rel-(8R,16R)-2,3,6,11,12,14-Hexamethoxy-8,16-diphenyldispiro[4.3.4.3]hexadeca-2,6,11,14-tetraene-1,4,10,13-tetrone, DA-54936, FS-10252, CS-0024053 |
|---|---|
| Topological Polar Surface Area | 124.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 44.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1180.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (6R,7E,14R,15E)-2,3,8,11,12,16-hexamethoxy-6,14-diphenyldispiro[4.3.49.35]hexadeca-2,7,11,15-tetraene-1,4,10,13-tetrone |
| Prediction Hob | 0.0 |
| Xlogp | 4.4 |
| Molecular Formula | C34H32O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OASRMBZSJNAYKB-PEFZSZSLSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.797 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.43 |
| Compound Name | Linderaspirone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 600.2 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 600.2 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 600.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.984462181818185 |
| Inchi | InChI=1S/C34H32O10/c1-39-23-17-21(19-13-9-7-10-14-19)34(31(37)27(43-5)28(44-6)32(34)38)24(40-2)18-22(20-15-11-8-12-16-20)33(23)29(35)25(41-3)26(42-4)30(33)36/h7-18,21-22H,1-6H3/b23-17+,24-18+/t21-,22-/m1/s1 |
| Smiles | CO/C/1=C/[C@@H](C2(C(=O)C(=C(C2=O)OC)OC)/C(=C\[C@@H](C13C(=O)C(=C(C3=O)OC)OC)C4=CC=CC=C4)/OC)C5=CC=CC=C5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients