Basic information
- CAS
66-28-4- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1- InChIKey
ODJLBQGVINUMMR-HZXDTFASSA-N- Molecular formula
- C23H32O6
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.21988874
Overview
Strophanthidin is a steroid aldehyde, a 3beta-hydroxy steroid, a 14beta-hydroxy steroid, a 19-oxo steroid, a 5beta-hydroxy steroid and a member of cardenolides. It is functionally related to a 5beta-cardanolide.
Names & identifiers
- Preferred name
- Strophanthidin
- IUPAC
- (3S,5S,8R,9S,10S,13R,14S,17R)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
- English name
- STROPHANTHIDIN
- Molecular formula
- C23H32O6
- Molecular weight
- 404.5
Names & synonyms
strophanthidin66-28-4ConvallatoxigeninStrophanthidineCorchsularink-StrophanthidinCorchorgeninErysimupicroneCorchoside A aglyconCorchorinStrophanthidin KErysimupikron
Show more names
cynotoxinStrophantidinCorcholincyanotoxinCorchotoxinCYMARIGENEN
CymarigeninApocymarin5beta-Hydroxy-19-oxodigitoxigeninNSC-860783beta,5,14-Trihydroxy-19-oxo-5beta-card-20(22)-enolideCHEBI:38178DTXSID00903966W5O632DN33
Database identifiers
- CAS
66-28-4- PubChem CID
- 6185
- DTXSID
DTXSID00903966- ChEMBL
CHEMBL111743- ChEBI
CHEBI:38178- UNII
- W5O632DN33
- EC Number
- 200-626-6
- Nikkaji
- J4.843G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 777
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cardanolides and derivatives [ST0112]
SpringerMaterials PropertiesCrystal structure
LogP0.98
Collision Cross Section
192.31 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
196.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 169 °C · 169°C
- alpha
- 25 · D25 +43.1° (c = 2.8 in methanol)
- Boiling point
- 446.1 °C · 446.1°C (rough estimate)
- Density
- 1.432 · 1.432±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.4593 · 1.4593 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- 50 mg/mL, · ethanol: complete50mg/mL, clear, colorless to yellow
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 1 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- FH5425000
- ridadr
- UN 2811 6.1/PG 1
- Toxicity
- LD100 i.v. in cats: 0.337 mg/kg (Graebner, Geisel)
- risk_code
- 26/27/28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 22-36/37/39-45
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H300+H310+H330
- Hazard Classifications
- Acute Tox. 1 DermalAcute Tox. 1 InhalationAcute Tox. 1 Oral
- Precautionary statements
Chemistry & industry
Applications
Usescardiotonic
UsesStrophanthidin was used to synthesize acetylstrophanthidin and the effect on neurotransmitter release from dog saphenous vein was studied.3
General DescriptionThis substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers48 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Shaanxi Haibo Biotechnology Co., Ltd+86-18629295024 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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