1-O-{3-[(6-Deoxyhexopyranosyl)oxy]-27-hydroxy-27,28-dioxoolean-12-en-28-yl}hexopyranose
8145
Reference
1-O-{3-[(6-Deoxyhexopyranosyl)oxy]-27-hydroxy-27,28-dioxoolean-12-en-28-yl}hexopyranose Structure
Systematic / IUPAC Name: 2,2,6b,9,9,12a-Hexamethyl-4a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-6a-carboxylic acid
ID: Reference8145
Other Names: Hexopyranose, 1-O-[3-[(6-deoxyhexopyranosyl)oxy]-27-hydroxy-27,28-dioxoolean-12-en-28-yl]-
Formula: C42H66O14
Spectral Data
1-O-{3-[(6-Deoxyhexopyranosyl)oxy]-27-hydroxy-27,28-dioxoolean-12-en-28-yl}hexopyranose 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 | 155 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/17/2018 6:52:41 AM |
Identificators
| InChI | InChI=1S/C42H66O14/c1-20-27(44)29(46)31(48)33(53-20)55-26-11-12-39(6)24(38(26,4)5)10-13-40(7)25(39)9-8-21-22-18-37(2,3)14-15-41(22,16-17-42(21,40)35(50)51)36(52)56-34-32(49)30(47)28(45)23(19-43)54-34/h8,20,22-34,43-49H,9-19H2,1-7H3,(H,50,51) |
| InChI Key | ZCBRYYRPNSHPER-UHFFFAOYSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C(=O)O)C)C)O)O)O |
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| Splash | |
| Other Names | Hexopyranose, 1-O-[3-[(6-deoxyhexopyranosyl)oxy]-27-hydroxy-27,28-dioxoolean-12-en-28-yl]- |