Nardosinone
Basic information
- CAS
23720-80-1- Standard SMILES
C[C@@H]1CCC=C2C(=O)C[C@H]3OOC(C)(C)[C@H]3[C@]21C- InChIKey
KXGHHSIMRWPVQM-JWFUOXDNSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Overview
Nardosinone has been reported in Nardostachys jatamansi with data available.
Names & identifiers
- Preferred name
- Nardosinone
- IUPAC
- (3aR,9R,9aR,9bS)-1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-one
- English name
- nardosinone
- Molecular formula
- C15H22O3
- Molecular weight
- 250.33
Names & synonyms
Nardosinone23720-80-15VA93HYL8U(3aR,9R,9aR,9bS)-1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho[2,1-c]dioxol-5-oneDTXSID509465201,3a,4,7,8,9,9a,9b-Octahydro-1,1,9,9a-tetramethyl-5H-naphtho(2,1c)(1,2)dioxol-5-one(3aR,9R,9aR,9bS)-1,1,9,9a-tetramethyl-3a,4,7,8,9,9b-hexahydronaphtho(2,1-c)dioxol-5-oneRefChem:164845DTXCID501374803MFCD21363103(3aR,9R,9aR,9bS)-1,1,9,9a-Tetramethyl-3a,4,7,8,9,9a-hexahydro-1H-naphtho[2,1-c][1,2]dioxol-5(9bH)-oneNardosinon
Show more names
Nardosinone-RMNardosinone, 98%, from Nardostachys jatamansi DC.1,1,9β,9aβ-Tetramethyl-3aβ,7,8,9,9a,9bβ-hexahydro-1H-naphtho[2,1-c][1,2]dioxole-5(4H)-one(3aR)-1,3aβ,4,7,8,9,9a,9bβ-Octahydro-1,1,9β,9aβ-tetramethyl-5H-naphtho[2,1-c][1,2]dioxol-5-one(3aR,9R,9aR,9bS)-1,3a,4,7,8,9,9a,9b-Octahydro-1,1,9,9a-tetramethyl-5H-naphtho[2,1-c][1,2]dioxol-5-one5H-Naphtho[2,1-c][1,2]dioxol-5-one,1,3a,4,7,8,9,9a,9b-octahydro-1,1,9,9a-tetramethyl-, (3aR,9R,9aR,9bS)-
[3aR-(3aa,9a,9aa,9ba)]-1,3a,4,7,8,9,9a,9b-Octahydro-1,1,9,9a-tetramethyl-5H-Naphtho[2,1-c][1,2]dioxol-5-one; Nardosinon(3ar,9r,9ar,9bs)-1,1,9,9a-tetramethyl-1,3a,4,7,8,9,9a,9b-octahydro-5h-naphtho[2,1-c][1,2]dioxol-5-oneNardosinone (Standard)UNII-5VA93HYL8Uorb1300191orb3139878CHEMBL1933702SCHEMBL28003089
Database identifiers
- CAS
23720-80-1- PubChem CID
- 168136
- DTXSID
DTXSID50946520- ChEMBL
CHEMBL1933702- UNII
- 5VA93HYL8U
- Nikkaji
- J16.437B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Melting point
- 108 · 108-110℃
- Boiling point
- 330.2 · 330.2±32.0 °C(Predicted)
- Density
- 1.11 · 1.11
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1S/C15H22O3/c1-9-6-5-7-10-11(16)8-12-13(15(9,10)4)14(2,3)18-17-12/h7,9,12-13H,5-6,8H2,1-4H3/t9-,12-,13+,15+/m1/s1
- InChIKey
- KXGHHSIMRWPVQM-JWFUOXDNSA-N
- SMILES
- O1C(C)(C)[C@@]2([H])[C@]3(C)C(=CCC[C@H]3C)C(=O)C[C@@]2([H])O1
- FDA UNII
- 5 VA93HYL8U · 5VA93HYL8U
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- HS Code
- 29145090 · 29145090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 29145090
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesNardosinone reduces neuronal injury and protects H9c2 cardiac cells from angiotensin II-induced hypertrophy which may give rise to heart failure. Enhancer of nerve growth factor (NGF).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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