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Molecule
Lycorine
CAS: 476-28-8 · C16H17NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 476-28-8
- Molecular Formula
- C16H17NO4
- Molecular Mass
- 287.32 g/mol
Identifiers
CAS Registry Number
476-28-8
SMILES
O[C@H]1[C@H]2c3cc4c(cc3CN3CCC(=C[C@@H]1O)[C@H]23)OCO4
InChI Key
XGVJWXAYKUHDOO-DANNLKNASA-N
InChI
InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1
Names and Synonyms
- Lycorine Synonym
- 1H-[1,3]Dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, 2,4,5,7,12b,12c-hexahydro-, (1S,2S,12bS,12cS)- Synonym
- Galanthidine Synonym
- Lycoran-1α,2β-diol, 3,3a-didehydro- Synonym
- Galanthan-1,2-diol, 3,12-didehydro-9,10-[methylenebis(oxy)]-, (1α,2β)- Synonym
- (1S,2S,12bS,12cS)-2,4,5,7,12b,12c-Hexahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol Synonym
- Amarylline Synonym
- Lycorine Synonym
- 3,4-Didehydro-11,12-[methylenebis(oxy)]galanthan-1α,2β-diol Synonym
- 3,3a-Didehydrolycoran-1α,2β-diol Synonym
- Narcissine Synonym
- Narcissin Synonym
- (-)-Lycorine Synonym
- 1H-[1,3]Dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol, 2,4,5,7,12b,12c-hexahydro-, [1S-(1α,2β,12bβ,12cα)]- Synonym
- NSC 401360 Synonym
- NSC 683873 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 287.32 g/mol | CAS Common Chemistry |
| 287.31500000000005 g/mol | RDKit | |
| 287.315 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lycorine | CAS Common Chemistry |
| Canonical SMILES | OC1C=C2CCN3CC4=CC=5OCOC5C=C4C(C1O)C23 | CAS Common Chemistry |
| InChI | InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XGVJWXAYKUHDOO-DANNLKNASA-N | CAS Common Chemistry |
| Melting Point | 280 °C | CAS Common Chemistry |
| Name | Lycorine | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 62.16000000000001 Ų | RDKit |
| 62.16 Ų | RDKit | |
| 61.93 Ų | chempirical lib | |
| LogP | 0.7485999999999997 | RDKit |
| 0.7486 | RDKit | |
| Molar Refractivity | 74.21760000000003 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 287.115758024 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 287.32 g/mol. Edit any field — others recompute live.
