(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid
(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid Structure
Systematic / IUPAC Name: (1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid
ID: Reference7686
Other Names: Dicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid, octadecahydro-2-hydroxy-3,3,5a,5b,12b-pentamethyl-10-(1-methylethenyl)-, (1R,2S,5aR,5bR,7aS,10R,12bR)-
Formula: C30H46O5
Spectral Data
(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid 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 8:05:45 AM |
Identificators
| InChI | InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17-,18?,19?,20?,21?,22+,23-,27+,28+,29-,30-/m0/s1 |
| InChI Key | WLCHQSHZHFLMJH-GAVPBTRYSA-N |
| Canonical SMILES | CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(C(C5(C)C)O)C(=O)O)C)C)C(=O)O |
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| Splash | |
| Other Names | Dicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid, octadecahydro-2-hydroxy-3,3,5a,5b,12b-pentamethyl-10-(1-methylethenyl)-, (1R,2S,5aR,5bR,7aS,10R,12bR)- |