(2E,4aR,6R,7S,8E,10R)-10-Acetoxy-4a-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate
(2E,4aR,6R,7S,8E,10R)-10-Acetoxy-4a-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate Structure
Systematic / IUPAC Name: (2E,4aR,6R,7S,8E,10R)-10-Acetoxy-4a-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate
ID: Reference7694
Other Names: 4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 10-(acetyloxy)-7-(benzoyloxy)-1,1a,4a,5,6,7,7a,10,11,11a-decahydro-4a-hydroxy-1,1,3,6,9-pentamethyl-, (2E,4aR,6R,7S,8E,10R)-
Formula: C29H36O6
Spectral Data
(2E,4aR,6R,7S,8E,10R)-10-Acetoxy-4a-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate 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 | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/4/2018 11:16:23 AM |
Identificators
| InChI | InChI=1S/C29H36O6/c1-16-12-23-25(35-27(32)20-10-8-7-9-11-20)18(3)15-29(23,33)26(31)17(2)13-21-22(28(21,5)6)14-24(16)34-19(4)30/h7-13,18,21-25,33H,14-15H2,1-6H3/b16-12+,17-13+/t18-,21?,22?,23?,24-,25+,29-/m1/s1 |
| InChI Key | WTURHHSEHGCTBS-OMKDOCLMSA-N |
| Canonical SMILES | CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C=C(C(CC4C(C4(C)C)C=C(C2=O)C)OC(=O)C)C)O |
| CAS | |
| Splash | |
| Other Names | 4H-Cyclopenta[a]cyclopropa[f]cycloundecen-4-one, 10-(acetyloxy)-7-(benzoyloxy)-1,1a,4a,5,6,7,7a,10,11,11a-decahydro-4a-hydroxy-1,1,3,6,9-pentamethyl-, (2E,4aR,6R,7S,8E,10R)- |