CID 23426144
PubChem CID: 23426144
Connections displayed (default: 10).
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| Topological Polar Surface Area | 35.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 785.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1S,2R,5E,10S,11S,18R,21S)-5,15,17,17-tetramethyl-9-methylidene-12,16-dioxapentacyclo[12.6.1.01,11.02,10.018,21]henicosa-5,14-dien-13-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.3 |
| Molecular Formula | C24H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QATHFSXCKTWEAB-MTZBETKZSA-N |
| Fcsp3 | 0.7083333333333334 |
| Logs | -4.37 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.665 |
| Compound Name | CID 23426144 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 368.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.8212054 |
| Inchi | InChI=1S/C24H32O3/c1-13-7-6-8-14(2)18-16(10-9-13)24-12-11-17-20(24)19(22(25)26-21(18)24)15(3)27-23(17,4)5/h7,16-18,20-21H,2,6,8-12H2,1,3-5H3/b13-7+/t16-,17-,18-,20-,21+,24+/m1/s1 |
| Smiles | C/C/1=C\CCC(=C)[C@@H]2[C@@H](CC1)[C@]34[C@H]2OC(=O)C5=C(OC([C@@H]([C@H]53)CC4)(C)C)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Picea Glehnii (Plant) Rel Props:Source_db:cmaup_ingredients