4,24-Dihydroxy-4,8,13,15,20,24-hexamethyl-10,18-dioxaheptacyclo[13.9.2.01,16.02,14.03,12.07,11.017,21]hexacosa-12,25-diene-9,19-dione
PubChem CID: 24883708
Connections displayed (default: 10).
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| Topological Polar Surface Area | 93.1 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1140.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,24-dihydroxy-4,8,13,15,20,24-hexamethyl-10,18-dioxaheptacyclo[13.9.2.01,16.02,14.03,12.07,11.017,21]hexacosa-12,25-diene-9,19-dione |
| Prediction Hob | 0.0 |
| Xlogp | 2.9 |
| Molecular Formula | C30H40O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GPVQVBJKPBRHQX-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.958 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.616 |
| Compound Name | 4,24-Dihydroxy-4,8,13,15,20,24-hexamethyl-10,18-dioxaheptacyclo[13.9.2.01,16.02,14.03,12.07,11.017,21]hexacosa-12,25-diene-9,19-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 496.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 496.282 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 496.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 14.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7272928000000025 |
| Inchi | InChI=1S/C30H40O6/c1-13-16-7-9-28(5,33)20-18(22(16)35-25(13)31)15(3)19-21(20)30-12-11-27(19,4)24(30)23-17(8-10-29(30,6)34)14(2)26(32)36-23/h11-14,16-17,19-24,33-34H,7-10H2,1-6H3 |
| Smiles | CC1C2CCC(C34C=CC(C3C2OC1=O)(C5C4C6C(=C5C)C7C(CCC6(C)O)C(C(=O)O7)C)C)(C)O |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Absinthium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Sieversiana (Plant) Rel Props:Source_db:cmaup_ingredients