Basic information
- Standard SMILES
CC1(C)[C@@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4CC3(C[C@@]4(C)O)[C@H](O)[C@@H](O)[C@@]21O- InChIKey
MZWHHKYLYHLLHP-IPYUSOFXSA-N- Molecular formula
- C20H34O6
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.23553881
Names & identifiers
- Preferred name
- Dihydrolyoniol B
- IUPAC
- (2S,3R,4R,6S,8S,9R,10R,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-2,3,4,6,9,14-hexol
- English name
- Grayanotoxane-3β,5,6β,7α,10,16-hexol
- Molecular formula
- C20H34O6
- Molecular weight
- 370.49
Names & synonyms
Dihydrolyoniol B29708-82-5RefChem:1083615DihydrodeacetyllyoniatoxinDihydrolyoniol-B(2S,3S,4R,6S,8S,9R,10R,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-2,3,4,6,9,14-hexolLyoniatoxin, dihydrodeacetyl-DTXSID20952158Grayanotoxane-3,5,6,7,10,16-hexol, (3-beta,6-beta,7-alpha)-Grayanotoxane-3,5,6,7,10,16-hexol13beta-Grayanotoxane-3beta,5,6beta,7alpha,10,16-hexol(2S,3R,4R,6S,8S,9R,10R,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-2,3,4,6,9,14-hexol
Show more names
Grayanotoxane-3β,5,6β,7α,10,16-hexolGrayanotoxane-3,5,6,7,10,16-hexol, (3β,6β,7α)- (9CI)
Database identifiers
- CAS
29708-82-5- PubChem CID
- 207342
- DTXSID
DTXSID20952158
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 623
Physicochemical properties
- Boiling point
- 532.1 · 532.1±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 13.56 · 13.56±0.70(Predicted)
Chemistry & industry
Applications
DescriptionDihydrolyoniol B is a drug/ therapeutic agent.
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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