1-O-[(3β,5ξ,9ξ,18ξ)-3,19,24-Trihydroxy-24,28-dioxours-12-en-28-yl]hexopyranose
8212
Reference
1-O-[(3β,5ξ,9ξ,18ξ)-3,19,24-Trihydroxy-24,28-dioxours-12-en-28-yl]hexopyranose Structure
Systematic / IUPAC Name: (3S,4R,6aR,6bS,8aS,11R,12R,14bR)-3,12-Dihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid
ID: Reference8212
Other Names: Hexopyranose, 1-O-[(3β,5ξ,9ξ,18ξ)-3,19,24-trihydroxy-24,28-dioxours-12-en-28-yl]-
Formula: C36H56O11
Spectral Data
1-O-[(3β,5ξ,9ξ,18ξ)-3,19,24-Trihydroxy-24,28-dioxours-12-en-28-yl]hexopyranose mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 155 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/24/2018 7:33:47 AM |
Identificators
| InChI | InChI=1S/C36H56O11/c1-18-9-14-36(30(44)47-28-26(41)25(40)24(39)20(17-37)46-28)16-15-32(3)19(27(36)35(18,6)45)7-8-21-31(2)12-11-23(38)34(5,29(42)43)22(31)10-13-33(21,32)4/h7,18,20-28,37-41,45H,8-17H2,1-6H3,(H,42,43)/t18-,20?,21?,22?,23+,24?,25?,26?,27?,28?,31-,32-,33-,34-,35-,36+/m1/s1 |
| InChI Key | AWFZJSUJFSUBQU-FZEZCDDVSA-N |
| Canonical SMILES | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1(C)O)C)C(=O)OC6C(C(C(C(O6)CO)O)O)O |
| CAS | |
| Splash | |
| Other Names | Hexopyranose, 1-O-[(3β,5ξ,9ξ,18ξ)-3,19,24-trihydroxy-24,28-dioxours-12-en-28-yl]- |