Methyl (2R)-[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-17-acetoxy-9-(3-furyl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4 04,13 05,10]octadec-15-yl](hydroxy)acetate
7652
Reference
Methyl (2R)-[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-17-acetoxy-9-(3-furyl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4 04,13 05,10]octadec-15-yl](hydroxy)acetate Structure
Systematic / IUPAC Name: Methyl (2R)-[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-17-acetoxy-9-(3-furyl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0~2,4~ 0~4,13~ 0~5,10~]octadec-15-yl](hydroxy)acetate
ID: Reference7652
Other Names:
Formula: C29H36O11
Spectral Data
Methyl (2R)-[(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-17-acetoxy-9-(3-furyl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4 04,13 05,10]octadec-15-yl](hydroxy)acetate 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 | 3/27/2018 1:55:12 PM |
Identificators
| InChI | InChI=1S/C29H36O11/c1-13(30)38-23-25(2,3)19(18(32)21(33)36-6)27(5)15-7-9-26(4)16(29(15)24(40-29)28(23,35)22(27)34)11-17(31)39-20(26)14-8-10-37-12-14/h8,10,12,15-16,18-20,23-24,32,35H,7,9,11H2,1-6H3/t15-,16-,18-,19+,20+,23+,24-,26-,27-,28+,29-/m1/s1 |
| InChI Key | QBOFNNDGXMMAOI-LFSJXYTJSA-N |
| Canonical SMILES | CC(=O)OC1C(C(C2(C3CCC4(C(C35C(C1(C2=O)O)O5)CC(=O)OC4C6=COC=C6)C)C)C(C(=O)OC)O)(C)C |
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