Gedunin
Gedunin Structure
Systematic / IUPAC Name: (6R,6aS,6bR,7aS,10S,10aS,12bR)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromen-6-yl acetate
ID: Reference3497
Other Names:
1-(3-Furyl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-1,3,3a,4b,5,6,6a,7,8,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]oxireno[2,3-d]isochromen-5-yl acetate;
Oxireno[c]phenanthro[1,2-d]pyran-3,8(4H,7aH)-dione, 6-(acetyloxy)-10-(3-furanyl)-4a,5,6,6a,10,10a,11,12,12a,12b-decahydro-4,4,6a,10a,12b-pentamethyl-, (6R,6aS,6bR,7aS,10S,10aS,12bR)-
Formula: C28H34O7
Class: Endogenous Metabolites Natural Products/Medicines
Spectral Data
Gedunin 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 Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 3731 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | IT; FT |
| Last Modification | 12/15/2015 2:19:08 PM |
Identificators
| InChI | InChI=1S/C28H34O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3/t17?,18?,20-,21+,22-,25-,26+,27+,28-/m1/s1 |
| InChI Key | YJXDGWUNRYLINJ-POZBICLPSA-N |
| Canonical SMILES | CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)(C)C |
| CAS | 2753302 |
| Splash | |
| Other Names |
1-(3-Furyl)-4b,7,7,10a,12a-pentamethyl-3,8-dioxo-1,3,3a,4b,5,6,6a,7,8,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]oxireno[2,3-d]isochromen-5-yl acetate; Oxireno[c]phenanthro[1,2-d]pyran-3,8(4H,7aH)-dione, 6-(acetyloxy)-10-(3-furanyl)-4a,5,6,6a,10,10a,11,12,12a,12b-decahydro-4,4,6a,10a,12b-pentamethyl-, (6R,6aS,6bR,7aS,10S,10aS,12bR)- |