5-Amino-2-(4,6'-dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-E]isoindole-2,1'-naphthalen]-7(3H)-yl)-5-oxopentanoic acid
5-Amino-2-(4,6'-dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-E]isoindole-2,1'-naphthalen]-7(3H)-yl)-5-oxopentanoic acid Structure
Systematic / IUPAC Name: 5-Amino-2-(3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-E]isoindole]-7'-yl)-5-oxopentanoic acid
ID: Reference7967
Other Names: Spiro[2H-furo[2,3-E]isoindole-2,1'(2'H)-naphthalene]-7(3H)-acetic acid, α-(3-amino-3-oxopropyl)-3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxo-
Formula: C28H38N2O7
Spectral Data
5-Amino-2-(4,6'-dihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-E]isoindole-2,1'-naphthalen]-7(3H)-yl)-5-oxopentanoic acid 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 | 5/16/2018 10:36:59 AM |
Identificators
| InChI | InChI=1S/C28H38N2O7/c1-14-5-7-20-26(2,3)21(32)9-10-27(20,4)28(14)12-16-19(31)11-15-17(23(16)37-28)13-30(24(15)34)18(25(35)36)6-8-22(29)33/h11,14,18,20-21,31-32H,5-10,12-13H2,1-4H3,(H2,29,33)(H,35,36) |
| InChI Key | VGRPJNIVIGBNNK-UHFFFAOYSA-N |
| Canonical SMILES | CC1CCC2C(C(CCC2(C13CC4=C(C=C5C(=C4O3)CN(C5=O)C(CCC(=O)N)C(=O)O)O)C)O)(C)C |
| CAS | |
| Splash | |
| Other Names | Spiro[2H-furo[2,3-E]isoindole-2,1'(2'H)-naphthalene]-7(3H)-acetic acid, α-(3-amino-3-oxopropyl)-3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4,6'-dihydroxy-2',5',5',8'a-tetramethyl-6-oxo- |