Spirosta-5,7-dien-3-ol
PubChem CID: 314392
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| Compound Synonyms | 85706-84-9, Spirosta-5,7-dien-3-ol, 7-Dehydrodiosgenin, NSC231807, Spirosta-5,7-dien-3-ol #, DTXSID60310793, YRYHWWSPSYOEEL-UHFFFAOYSA-N, NSC-231807 |
|---|---|
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 800.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(20),18-diene-6,2'-oxane]-16-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C27H40O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YRYHWWSPSYOEEL-UHFFFAOYSA-N |
| Fcsp3 | 0.8518518518518519 |
| Logs | -4.709 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.569 |
| Compound Name | Spirosta-5,7-dien-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 412.298 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 412.298 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 412.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.598606800000001 |
| Inchi | InChI=1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5-6,16-17,19,21-24,28H,7-15H2,1-4H3 |
| Smiles | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4=CC=C6C5(CCC(C6)O)C)C)C)OC1 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eleutherococcus Senticosus (Plant) Rel Props:Source_db:cmaup_ingredients