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(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1R)-7-ethyl-7-hydroxy-1-methyl-non-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
SpectraBase Compound ID Cj00GW6OcPL
InChI InChI=1S/C30H50O3/c1-5-30(33,6-2)18-9-7-8-11-22(3)27-15-16-28-24(12-10-17-29(27,28)4)14-13-23-19-25(31)21-26(32)20-23/h8,11,13-14,22,25-28,31-33H,5-7,9-10,12,15-21H2,1-4H3/b11-8+,24-14+/t22-,25-,26-,27-,28+,29-/m1/s1
InChIKey IPTABQDJSQTJSA-JBGJTWAGSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rSNvilxiU9
Name (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1R)-7-ethyl-7-hydroxy-1-methyl-non-2-enyl]-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 C30H50O3
InChI InChI=1S/C30H50O3/c1-5-30(33,6-2)18-9-7-8-11-22(3)27-15-16-28-24(12-10-17-29(27,28)4)14-13-23-19-25(31)21-26(32)20-23/h8,11,13-14,22,25-28,31-33H,5-7,9-10,12,15-21H2,1-4H3/b11-8+,24-14+/t22-,25-,26-,27-,28+,29-/m1/s1
InChIKey IPTABQDJSQTJSA-JBGJTWAGSA-N
Molecular Weight 458.727 g/mol
SMILES O[C@]1(C[C@@](CC(C1)=C\C=C\1[C@]2([C@@]([C@](CC2)([C@@](\C=C\CCCC(O)(CC)CC)(C)[H])[H])(CCC1)C)[H])(O)[H])[H]
SPLASH splash10-001s-8960300000-20a6c5698b037f429da5
Source of Spectrum AT-33-2940-14
Synonyms (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-8-ethyl-8-hydroxydec-3-en-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,3aS,7aR)-1-[(E,2R)-8-ethyl-8-oxidanyl-dec-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
Wiley ID 836263