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

View entire compound with spectra: 1 MS (GC)

(1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(1S)-5-hydroxy-1,5-dimethyl-hex-3-ynyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
SpectraBase Compound ID FxPdCl4QsOU
InChI InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21+,22+,23+,24+,26+/m0/s1
InChIKey HHGRMHMXKPQNGF-ZCZQXKTASA-N
Mol Weight 400.6 g/mol
Molecular Formula C26H40O3
Exact Mass 400.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RuX6IIaSwt
Name (1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(1S)-5-hydroxy-1,5-dimethyl-hex-3-ynyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O3
InChI InChI=1S/C26H40O3/c1-18(7-5-13-25(2,3)29)23-11-12-24-20(8-6-14-26(23,24)4)10-9-19-15-21(27)17-22(28)16-19/h9-10,18,21-24,27-29H,6-8,11-12,14-17H2,1-4H3/b20-10+/t18-,21+,22+,23+,24+,26+/m0/s1
InChIKey HHGRMHMXKPQNGF-ZCZQXKTASA-N
Molecular Weight 400.603 g/mol
SMILES O[C@]1(C[C@@](CC(C1)=C\C=C\1[C@@]2([C@@]([C@](CC2)([C@](CC#CC(O)(C)C)(C)[H])[H])(CCC1)C)[H])(O)[H])[H]
SPLASH splash10-0006-9200000000-fad50acae08290c5e415
Source of Spectrum U1-1999-2247-5
Synonyms (1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(2S)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol (1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2S)-6-methyl-6-oxidanyl-hept-4-yn-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
Wiley ID 753781