(3β,8ξ,9ξ,12β,14β)-11,12,14-Trihydroxy-20-oxopregn-5-en-3-yl 6-deoxyhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranoside
(3β,8ξ,9ξ,12β,14β)-11,12,14-Trihydroxy-20-oxopregn-5-en-3-yl 6-deoxyhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranoside Structure
Systematic / IUPAC Name: 1-[(3S,10R,12S,13S,14S,17S)-11,12,14-Trihydroxy-3-[4-methoxy-5-[4-methoxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
ID: Reference8505
Other Names: Pregn-5-en-20-one, 3-[[O--6-deoxyhexopyranosyl-(1->4)-O--2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy]-11,12,14-trihydroxy-, (3beta,8xi,9xi,12beta,14beta)-
Formula: C41H66O15
Spectral Data
(3β,8ξ,9ξ,12β,14β)-11,12,14-Trihydroxy-20-oxopregn-5-en-3-yl 6-deoxyhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranoside 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 | 2402 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/22/2019 9:14:23 AM |
Identificators
| InChI | InChI=1S/C41H66O15/c1-18(42)24-12-14-41(48)25-10-9-22-15-23(11-13-39(22,5)30(25)32(44)37(47)40(24,41)6)54-28-16-26(49-7)35(20(3)51-28)55-29-17-27(50-8)36(21(4)52-29)56-38-34(46)33(45)31(43)19(2)53-38/h9,19-21,23-38,43-48H,10-17H2,1-8H3/t19?,20?,21?,23-,24+,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37+,38?,39-,40-,41-/m0/s1 |
| InChI Key | UPGNUKWUJCJKHN-RJOBNQAYSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C6C(CC=C5C4)C7(CCC(C7(C(C6O)O)C)C(=O)C)O)C)C)C)O)O)O |
| CAS | |
| Splash | |
| Other Names | Pregn-5-en-20-one, 3-[[O--6-deoxyhexopyranosyl-(1->4)-O--2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy]-11,12,14-trihydroxy-, (3beta,8xi,9xi,12beta,14beta)- |