(2β,5ξ,8α,9β,10α,13α,15α)-15-Hydroxy-2-{[2-O-(3-methylbutanoyl)-β-D-glucopyranosyl]oxy}kaur-16-ene-18,19-dioic acid
8181
Reference
(2β,5ξ,8α,9β,10α,13α,15α)-15-Hydroxy-2-{[2-O-(3-methylbutanoyl)-β-D-glucopyranosyl]oxy}kaur-16-ene-18,19-dioic acid Structure
Systematic / IUPAC Name: (2β,5ξ,8α,9β,10α,13α,15α)-15-Hydroxy-2-{[2-O-(3-methylbutanoyl)-β-D-glucopyranosyl]oxy}kaur-16-ene-18,19-dioic acid
ID: Reference8181
Other Names:
Formula: C31H46O12
Spectral Data
(2β,5ξ,8α,9β,10α,13α,15α)-15-Hydroxy-2-{[2-O-(3-methylbutanoyl)-β-D-glucopyranosyl]oxy}kaur-16-ene-18,19-dioic 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 | 55 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/29/2018 8:26:28 AM |
Identificators
| InChI | InChI=1S/C31H46O12/c1-14(2)9-21(33)43-24-23(35)22(34)18(13-32)42-26(24)41-17-11-29(4)19-6-5-16-10-30(19,25(36)15(16)3)8-7-20(29)31(12-17,27(37)38)28(39)40/h14,16-20,22-26,32,34-36H,3,5-13H2,1-2,4H3,(H,37,38)(H,39,40)/t16-,17+,18-,19+,20?,22-,23+,24-,25+,26-,29+,30-/m1/s1 |
| InChI Key | ONMAWHWGRYJWEX-SYFCMIPNSA-N |
| Canonical SMILES | CC(C)CC(=O)OC1C(C(C(OC1OC2CC3(C4CCC5CC4(CCC3C(C2)(C(=O)O)C(=O)O)C(C5=C)O)C)CO)O)O |
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