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Curcumin
CAS: 458-37-7 | C21H20O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
458-37-7
Molecular Formula:
C21H20O6
Molecular Mass:
368.39 g/mol
Names and Synonyms:
Curcumin
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1E,6E)-
Curcumin
1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E,E)-
(1E,6E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
C.I. 75300
C.I. Natural Yellow 3
Curcuma
Haidr
Halad
Haldar
Halud
Indian Saffron
Kacha Haldi
Merita Earth
Souchet
Terra Merita
Turmeric yellow
Yellow Ginger
Yellow Root
Yo-Kin
(E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
Diferuloylmethane
E 100 (dye)
E 100
trans,trans-Curcumin
Turmeric (dye)
Turmeric
Natural Yellow 3
C Yellow 15
Ukon (dye)
Ukon
Curcumin I
Curcumine
San-Ei Curcumine AL
San-Ei Gen Curcumine AL
NSC 32982
(E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
Jianghuangsu
Curcumin W
Colorant E 100
NanoCurc
Theracurmin
Biocurcumax
BR 213
INS 100i
Lipocurc
Natxtra
Vacurin
Cureit
Longvida
Curcumax
Kiriyasu Oil Yellow U
Theracurmin CR 011L
(E,E)-1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadien-3,5-dione
Curcuma yellow
Identifiers:
SMILES:
COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
InChI:
InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
Key Properties
Melting Point
183 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 368.39 g/mol | CAS Common Chemistry |
| 368.3850000000001 g/mol | RDKit | |
| 368.12598835999995 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Curcumin | CAS Common Chemistry |
| Canonical SMILES | O=C(C=CC1=CC=C(O)C(OC)=C1)CC(=O)C=CC2=CC=C(O)C(OC)=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ | CAS Common Chemistry |
| InChI Key | InChIKey=VFLDPWHFBUODDF-FCXRPNKRSA-N | CAS Common Chemistry |
| Melting Point | 183 °C | CAS Common Chemistry |
| Name | Curcumin | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 93.06000000000002 Ų | RDKit |
| LogP | 3.3699000000000026 | RDKit |
| Molar Refractivity | 102.01660000000001 | RDKit |
