Fasciculic acid C
8097
Reference
Fasciculic acid C Structure
Systematic / IUPAC Name: N-{3-Hydroxy-3-methyl-5-oxo-5-[(2,12,21,24,25-pentahydroxylanost-8-en-3-yl)oxy]pentanoyl}glycine
ID: Reference8097
Other Names: Pentanoic acid, 5-[(carboxymethyl)amino]-3-hydroxy-3-methyl-5-oxo, 1-(2,12,21,24,25-pentahydroxylanost-8-en-3-yl) ester
Formula: C38H63NO11
Spectral Data
Fasciculic acid C 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 | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/19/2018 11:53:12 AM |
Identificators
| InChI | InChI=1S/C38H63NO11/c1-33(2)26-11-10-23-24(15-28(43)38(8)22(13-14-37(23,38)7)21(20-40)9-12-27(42)34(3,4)48)36(26,6)16-25(41)32(33)50-31(47)18-35(5,49)17-29(44)39-19-30(45)46/h21-22,25-28,32,40-43,48-49H,9-20H2,1-8H3,(H,39,44)(H,45,46) |
| InChI Key | IOMBMOCSWVAYQU-UHFFFAOYSA-N |
| Canonical SMILES | CC1(C2CCC3=C(C2(CC(C1OC(=O)CC(C)(CC(=O)NCC(=O)O)O)O)C)CC(C4(C3(CCC4C(CCC(C(C)(C)O)O)CO)C)C)O)C |
| CAS | |
| Splash | |
| Other Names | Pentanoic acid, 5-[(carboxymethyl)amino]-3-hydroxy-3-methyl-5-oxo, 1-(2,12,21,24,25-pentahydroxylanost-8-en-3-yl) ester |