2-[(2R,4aS,8S,8aS)-8-{2-[(4aS,7R,8aR)-7-(1-Carboxyvinyl)-1-hydroxy-4a-methyl-2-oxo-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}-4a-methyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydro-2-naphthalenyl]acrylic acid
7823
Reference
2-[(2R,4aS,8S,8aS)-8-{2-[(4aS,7R,8aR)-7-(1-Carboxyvinyl)-1-hydroxy-4a-methyl-2-oxo-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}-4a-methyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydro-2-naphthalenyl]acrylic acid Structure
Systematic / IUPAC Name: 2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-Carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid
ID: Reference7823
Other Names:
Formula: C30H38O7
Spectral Data
2-[(2R,4aS,8S,8aS)-8-{2-[(4aS,7R,8aR)-7-(1-Carboxyvinyl)-1-hydroxy-4a-methyl-2-oxo-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}-4a-methyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydro-2-naphthalenyl]acrylic 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 | 3 |
| No. of Spectra | 8616 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/20/2018 10:16:39 AM |
Identificators
| InChI | InChI=1S/C30H38O7/c1-17(26(33)34)19-5-10-28(3)12-8-23(31)21(22(28)15-19)7-14-30(37)24-16-20(18(2)27(35)36)6-11-29(24,4)13-9-25(30)32/h8-9,12-13,19-22,24,37H,1-2,5-7,10-11,14-16H2,3-4H3,(H,33,34)(H,35,36)/t19-,20-,21+,22+,24-,28+,29+,30?/m1/s1 |
| InChI Key | BSSWIRVAMSGQMG-RTTXQYISSA-N |
| Canonical SMILES | CC12CCC(CC1C(C(=O)C=C2)CCC3(C4CC(CCC4(C=CC3=O)C)C(=C)C(=O)O)O)C(=C)C(=O)O |
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