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22R or 22S-3-Methyl-17ALPHA(H),21BETA(H)-homohopane

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

22R or 22S-3-Methyl-17ALPHA(H),21BETA(H)-homohopane
SpectraBase Compound ID Esp0pHCwHKL
InChI InChI=1S/C32H56/c1-10-21(2)23-14-18-29(6)24(23)15-19-31(8)26(29)11-12-27-30(7)17-13-22(3)28(4,5)25(30)16-20-32(27,31)9/h21-27H,10-20H2,1-9H3
InChIKey TXKHPPOXZLKNDN-UHFFFAOYSA-N
Mol Weight 440.8 g/mol
Molecular Formula C32H56
Exact Mass 440.438202 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 69a3ZOJmrZ4
Name 22R or 22S-3-Methyl-17ALPHA(H),21BETA(H)-homohopane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.438201803 u
Formula C32H56
InChI InChI=1S/C32H56/c1-10-21(2)23-14-18-29(6)24(23)15-19-31(8)26(29)11-12-27-30(7)17-13-22(3)28(4,5)25(30)16-20-32(27,31)9/h21-27H,10-20H2,1-9H3
InChIKey TXKHPPOXZLKNDN-UHFFFAOYSA-N
Molecular Weight 440.800 g/mol
SMILES C1CC2(C3CCC4C5(CCC(C5CCC4(C3(CCC2C(C1C)(C)C)C)C)C(C)CC)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903119