Systematic / IUPAC Name: [1,2-Dihydroxy-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-10-yl] acetate
ID: Reference8068
Other Names:
Formula: C38H62O10
Peniciside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 1 |
No. of Spectra | 315 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/13/2018 12:22:27 PM |
InChI | InChI=1S/C38H62O10/c1-18(2)25-27(42)29(44)31-35(25,6)14-15-37(8)21-10-11-24-34(4,5)32(48-33-30(45)28(43)26(41)23(17-39)47-33)22(46-19(3)40)16-36(24,7)20(21)12-13-38(31,37)9/h12,18,21-33,39,41-45H,10-11,13-17H2,1-9H3 |
InChI Key | IFFDZLRWLNUFOX-UHFFFAOYSA-N |
Canonical SMILES | CC(C)C1C(C(C2C1(CCC3(C2(CC=C4C3CCC5C4(CC(C(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)OC(=O)C)C)C)C)C)O)O |
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PubChem | 60208840 |