(3β,6α,9ξ,12β,20Z)-3,12-Dihydroxydammara-20(22),24-dien-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
(3β,6α,9ξ,12β,20Z)-3,12-Dihydroxydammara-20(22),24-dien-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside Structure
Systematic / IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-2,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
ID: Reference8506
Other Names: β-D-Glucopyranoside, (3β,6α,9ξ,12β,20Z)-3,12-dihydroxydammara-20(22),24-dien-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
Formula: C42H70O12
Spectral Data
(3β,6α,9ξ,12β,20Z)-3,12-Dihydroxydammara-20(22),24-dien-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside 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 | 893 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/22/2019 12:50:53 PM |
Identificators
| InChI | InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11-12,22-38,43-50H,10,13-19H2,1-9H3/t22-,23+,24+,25-,26+,27?,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38+,40+,41+,42+/m0/s1 |
| InChI Key | QOMBXPYXWGTFNR-JBZRFGBVSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C(=CCC=C(C)C)C)C)O)C6(C3C(C(CC6)O)(C)C)C)C)CO)O)O)O)O)O |
| CAS | |
| Splash | |
| Other Names | β-D-Glucopyranoside, (3β,6α,9ξ,12β,20Z)-3,12-dihydroxydammara-20(22),24-dien-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)- |