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1-(2-Hydroxypropan-2-yl)-3A-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12A-decahydro-1H-cyclopenta[11]annulene-5,9-diol diacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

1-(2-Hydroxypropan-2-yl)-3A-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12A-decahydro-1H-cyclopenta[11]annulene-5,9-diol diacetate
SpectraBase Compound ID CBWriQJ794F
InChI InChI=1S/C24H38O5/c1-15-8-10-20-19(23(5,6)27)12-13-24(20,7)14-22(29-18(4)26)16(2)9-11-21(15)28-17(3)25/h19-22,27H,1-2,8-14H2,3-7H3
InChIKey PCLBKNNVMRSUIC-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DOUCHc6gORZ
Name 1-(2-Hydroxypropan-2-yl)-3A-methyl-6,10-dimethylidene-2,3,4,5,7,8,9,11,12,12A-decahydro-1H-cyclopenta[11]annulene-5,9-diol diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.271924319 u
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-15-8-10-20-19(23(5,6)27)12-13-24(20,7)14-22(29-18(4)26)16(2)9-11-21(15)28-17(3)25/h19-22,27H,1-2,8-14H2,3-7H3
InChIKey PCLBKNNVMRSUIC-UHFFFAOYSA-N
Molecular Weight 406.563 g/mol
SMILES C1(CCC(C(CC2(C(CCC1=C)C(C(O)(C)C)CC2)C)OC(=O)C)=C)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861806