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(1R,2R,4E,6R)-4-[(2E)-2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-6-(3-hydroxypropoxy)-1-methyl-cyclohexane-1,2-diol

View entire compound with spectra: 1 MS (GC)

(1R,2R,4E,6R)-4-[(2E)-2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-6-(3-hydroxypropoxy)-1-methyl-cyclohexane-1,2-diol
SpectraBase Compound ID GtIH7i0DVMZ
InChI InChI=1S/C30H52O5/c1-21(9-6-15-28(2,3)33)24-13-14-25-23(10-7-16-29(24,25)4)12-11-22-19-26(32)30(5,34)27(20-22)35-18-8-17-31/h11-12,21,24-27,31-34H,6-10,13-20H2,1-5H3/b22-11+,23-12+/t21-,24-,25+,26-,27-,29-,30-/m1/s1
InChIKey LYTXDLSVEMPOGH-OVGDERSASA-N
Mol Weight 492.7 g/mol
Molecular Formula C30H52O5
Exact Mass 492.381475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVsmIjz3a8p
Name (1R,2R,4E,6R)-4-[(2E)-2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-6-(3-hydroxypropoxy)-1-methyl-cyclohexane-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O5
InChI InChI=1S/C30H52O5/c1-21(9-6-15-28(2,3)33)24-13-14-25-23(10-7-16-29(24,25)4)12-11-22-19-26(32)30(5,34)27(20-22)35-18-8-17-31/h11-12,21,24-27,31-34H,6-10,13-20H2,1-5H3/b22-11+,23-12+/t21-,24-,25+,26-,27-,29-,30-/m1/s1
InChIKey LYTXDLSVEMPOGH-OVGDERSASA-N
Instrument Name JEOL JMSAX505HA
Ionization Type EI
Literature Reference DOI 10.1021/jm400537h
Molecular Weight 492.741 g/mol
SMILES OC(CCC[C@]([C@]1(CC[C@]2(\C(=C\C=C/3C[C@]([C@@]([C@@](C3)(OCCCO)[H])(C)O)(O)[H])CCC[C@]12C)[H])[H])(C)[H])(C)C
SPLASH splash10-000i-0700900000-946d83b0230dc585a427
Source of Spectrum AF-56-6756-2d'
Wiley ID 1854598