(2R,4S,6R,12R)-4,15,16,16-tetramethyl-9-methylidene-5-oxatricyclo[10.3.1.04,6]hexadec-1(15)-en-2-ol
PubChem CID: 24764028
Connections displayed (default: 10).
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| Topological Polar Surface Area | 32.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,4S,6R,12R)-4,15,16,16-tetramethyl-9-methylidene-5-oxatricyclo[10.3.1.04,6]hexadec-1(15)-en-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C20H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MIWIEPRKDYJOAK-VIPLHTEESA-N |
| Fcsp3 | 0.8 |
| Logs | -5.178 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.945 |
| Compound Name | (2R,4S,6R,12R)-4,15,16,16-tetramethyl-9-methylidene-5-oxatricyclo[10.3.1.04,6]hexadec-1(15)-en-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 304.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0146388 |
| Inchi | InChI=1S/C20H32O2/c1-13-6-9-15-10-8-14(2)18(19(15,3)4)16(21)12-20(5)17(22-20)11-7-13/h15-17,21H,1,6-12H2,2-5H3/t15-,16-,17-,20+/m1/s1 |
| Smiles | CC1=C2[C@@H](C[C@]3([C@H](O3)CCC(=C)CC[C@@H](C2(C)C)CC1)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Balanophora Indica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Picris Kamtschatica (Plant) Rel Props:Source_db:cmaup_ingredients