Peniciside

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

Spectral Data

Peniciside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

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
View Mass Spec Data > >

Identificators

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
CAS
Splash
Other Names

In Other Databases

PubChem 60208840