(1S,2R,4S,9R,10R,14S,15S,17S)-9-(3-Furyl)-1-hydroxy-15-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4 04,13 05,10]octadec-17-yl propionate
7812
Reference
(1S,2R,4S,9R,10R,14S,15S,17S)-9-(3-Furyl)-1-hydroxy-15-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4 04,13 05,10]octadec-17-yl propionate Structure
Systematic / IUPAC Name: (1S,2R,4S,9R,10R,14S,15S,17S)-9-(3-Furyl)-1-hydroxy-15-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4 04,13 05,10]octadec-17-yl propionate
ID: Reference7812
Other Names:
Formula: C30H38O11
Spectral Data
(1S,2R,4S,9R,10R,14S,15S,17S)-9-(3-Furyl)-1-hydroxy-15-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4 04,13 05,10]octadec-17-yl propionate 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 | 2 |
| No. of Spectra | 304 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/19/2018 12:30:19 PM |
Identificators
| InChI | InChI=1S/C30H38O11/c1-7-17(31)40-24-26(2,3)20(19(33)22(34)37-6)28(5)15-8-10-27(4)16(30(15)25(41-30)29(24,36)23(28)35)12-18(32)39-21(27)14-9-11-38-13-14/h9,11,13,15-16,19-21,24-25,33,36H,7-8,10,12H2,1-6H3/t15?,16?,19-,20+,21+,24+,25-,27-,28-,29+,30-/m1/s1 |
| InChI Key | FZBGZDZLYSLJFE-MVAMGWTESA-N |
| Canonical SMILES | CCC(=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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