from Rollinia papilionella
PubChem CID: 339203
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | from Rollinia papilionella, CHEMBL506028, NSC364581, NSC-364581, B806512K271, 2(3H)-Furanone,2'-bifuran]-5-yl]- 12-oxotridecyl]-5-methyl- |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | XXWGMJIUQNJXMV-UHFFFAOYSA-N |
| Rotatable Bond Count | 25.0 |
| Heavy Atom Count | 44.0 |
| Compound Name | from Rollinia papilionella |
| Exact Mass | 622.481 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 622.481 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 788.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 622.9 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[13-hydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]-12-oxotridecyl]-5-methyloxolan-2-one |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C37H66O7/c1-3-4-5-6-7-12-15-18-21-30(38)32-23-24-33(43-32)34-25-26-35(44-34)36(40)31(39)22-19-16-13-10-8-9-11-14-17-20-29-27-28(2)42-37(29)41/h28-30,32-36,38,40H,3-27H2,1-2H3 |
| Smiles | CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(C(=O)CCCCCCCCCCCC3CC(OC3=O)C)O)O |
| Xlogp | 10.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C37H66O7 |
- 1. Outgoing r'ship
FOUND_INto/from Rollinia Mucosa (Plant) Rel Props:Reference: