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(1R,3aS,3bS,4R,9aR,9bS,11aR)-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]isochromen-4-ol

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

(1R,3aS,3bS,4R,9aR,9bS,11aR)-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]isochromen-4-ol
SpectraBase Compound ID LZoRSmAGjK8
InChI InChI=1S/C26H44O2/c1-17(2)7-6-8-18(3)20-9-10-21-24-22(11-12-26(20,21)5)25(4)13-14-28-16-19(25)15-23(24)27/h15,17-18,20-24,27H,6-14,16H2,1-5H3/t18-,20-,21+,22+,23+,24+,25+,26-/m1/s1
InChIKey ABYRUCJMTDEDRY-UDBIBJKXSA-N
Mol Weight 388.6 g/mol
Molecular Formula C26H44O2
Exact Mass 388.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BwdlBSB1yaS
Name (1R,3as,3bs,4R,9ar,9bs,11Ar)-1-[(1R)-1,5-dimethylhexyl]-9A,11A-dimethyl-1,2,3,3A,3B,4,6,8,9,9B,10,11-dodecahydroindeno[5,4-F]isochromen-4-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.334130655 u
Formula C26H44O2
InChI InChI=1S/C26H44O2/c1-17(2)7-6-8-18(3)20-9-10-21-24-22(11-12-26(20,21)5)25(4)13-14-28-16-19(25)15-23(24)27/h15,17-18,20-24,27H,6-14,16H2,1-5H3/t18-,20-,21+,22+,23+,24+,25+,26-/m1/s1
InChIKey ABYRUCJMTDEDRY-UDBIBJKXSA-N
Molecular Weight 388.636 g/mol
SMILES [C@@]12([C@]([C@@]3([C@](C=C4[C@@]([C@]3(CC2)[H])(CCOC4)C)(O)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90652