For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(1R,3R)-5-[(2E)-2-[(7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-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-[(7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
SpectraBase Compound ID 9xYrT7tMMga
InChI InChI=1S/C26H44O3/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,5-8,11-17H2,1-4H3/b20-10+/t18-,21-,22-,23?,24?,26-/m1/s1
InChIKey PKFBWEUIKKCWEW-ZZVJBFQMSA-N
Mol Weight 404.6 g/mol
Molecular Formula C26H44O3
Exact Mass 404.329045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3EW3Hl7YTQ
Name (1R,3R)-5-[(2E)-2-[(7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-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 C26H44O3
InChI InChI=1S/C26H44O3/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,5-8,11-17H2,1-4H3/b20-10+/t18-,21-,22-,23?,24?,26-/m1/s1
InChIKey PKFBWEUIKKCWEW-ZZVJBFQMSA-N
Molecular Weight 404.635 g/mol
SMILES O[C@]1(C[C@@](CC(C1)=C\C=C\1C2[C@@](C(CC2)[C@@](CCCC(O)(C)C)(C)[H])(CCC1)C)(O)[H])[H]
SPLASH splash10-0f7t-6765900000-81f0af98a4eafd5a7da8
Source of Spectrum AT-32-7666-13
Synonyms (1R,3R)-5-[(2E)-2-[(7aR)-1-[(2R)-6-hydroxy-6-methylheptan-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-[(7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
Wiley ID 836120