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Nikkol Vc-Ip
CAS: 183476-82-6 | C70H128O10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
183476-82-6
Molecular Formula:
C70H128O10
Molecular Mass:
1129.78 g/mol
Names and Synonyms:
Nikkol Vc-Ip
L-Ascorbic acid, 2,3,5,6-tetrakis(2-hexyldecanoate)
L-Ascorbic acid, tetrakis(2-hexyldecanoate)
Nikkol VC-IP
BV-OSC
Vitamin C tetra-isopalmitate
VC-IP
Ascorbyl tetra-2-hexyldecanoate
Identifiers:
SMILES:
CCCCCCCCC(CCCCCC)C(=O)OC[C@H](OC(=O)C(CCCCCC)CCCCCCCC)[C@H]1OC(=O)C(OC(=O)C(CCCCCC)CCCCCCCC)=C1OC(=O)C(CCCCCC)CCCCCCCC
InChI:
InChI=1S/C70H128O10/c1-9-17-25-33-37-45-50-58(49-41-29-21-13-5)66(71)76-57-62(77-67(72)59(51-42-30-22-14-6)54-46-38-34-26-18-10-2)63-64(79-68(73)60(52-43-31-23-15-7)55-47-39-35-27-19-11-3)65(70(75)78-63)80-69(74)61(53-44-32-24-16-8)56-48-40-36-28-20-12-4/h58-63H,9-57H2,1-8H3/t58?,59?,60?,61?,62-,63+/m0/s1
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 | 1129.78 g/mol | CAS Common Chemistry |
| 1129.7839999999994 g/mol | RDKit | |
| 1128.950750296 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(C(OC(=O)C(CCCCCC)CCCCCCCC)=C1OC(=O)C(CCCCCC)CCCCCCCC)C(OC(=O)C(CCCCCC)CCCCCCCC)COC(=O)C(CCCCCC)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C70H128O10/c1-9-17-25-33-37-45-50-58(49-41-29-21-13-5)66(71)76-57-62(77-67(72)59(51-42-30-22-14-6)54-46-38-34-26-18-10-2)63-64(79-68(73)60(52-43-31-23-15-7)55-47-39-35-27-19-11-3)65(70(75)78-63)80-69(74)61(53-44-32-24-16-8)56-48-40-36-28-20-12-4/h58-63H,9-57H2,1-8H3/t58?,59?,60?,61?,62-,63+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OEWBEINAQKIQLZ-CMRBMDBWSA-N | CAS Common Chemistry |
| Name | Nikkol VC-IP | CAS Common Chemistry |
| Heavy Atom Count | 80 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 58 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 131.50000000000003 Ų | RDKit |
| LogP | 21.013600000000004 | RDKit |
| Molar Refractivity | 330.89700000000016 | RDKit |
