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2-{(1R,2S,5R,8S)-2-Hydroxy-8-(3-hydroxypropyl)-2-methyl-1-[4-methyl-6-((1R,5S)-2,5,6,6-tetramethylcyclohex-2-enyl)-hexa-3,5-dienyl]-6-oxabicyclo[3.2.1]oct-5-yl}propanal
SpectraBase Compound ID 3USgd6TN1Q2
InChI InChI=1S/C31H50O4/c1-22(12-15-26-23(2)13-14-24(3)28(26,5)6)10-8-16-30-21-35-31(25(4)20-33,18-17-29(30,7)34)27(30)11-9-19-32/h10,12-13,15,20,24-27,32,34H,8-9,11,14,16-19,21H2,1-7H3/t24-,25?,26+,27-,29-,30-,31-/m0/s1
InChIKey UENBQPOCUNCOEH-FIXIAPRNSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H50O4
Exact Mass 486.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AalVniSZb0O
Name 2-{(1R,2S,5R,8S)-2-Hydroxy-8-(3-hydroxypropyl)-2-methyl-1-[4-methyl-6-((1R,5S)-2,5,6,6-tetramethylcyclohex-2-enyl)-hexa-3,5-dienyl]-6-oxabicyclo[3.2.1]oct-5-yl}propanal
Alternate Name(s) (6S,7R,10S,11S,18R,22S)-16,17,19,20-Tetradehydro-2,7,18,19,22,23-hexahydro-22-methyl-3-O,7:18,23-dicycloiridal 2-((1R,2S,5R,8S)-2-hydroxy-8-(3-hydroxypropyl)-2-methyl-1-(4-methyl-6-((1R,5S)-2,5,6,6-tetramethylcyclohex-2-en-1-yl)hexa-3,5-dien-1-yl)-6-oxabicyclo[3.2.1]octan-5-yl)propanal
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Formula C31H50O4
InChI InChI=1S/C31H50O4/c1-22(12-15-26-23(2)13-14-24(3)28(26,5)6)10-8-16-30-21-35-31(25(4)20-33,18-17-29(30,7)34)27(30)11-9-19-32/h10,12-13,15,20,24-27,32,34H,8-9,11,14,16-19,21H2,1-7H3/t24-,25?,26+,27-,29-,30-,31-/m0/s1
InChIKey UENBQPOCUNCOEH-FIXIAPRNSA-N
Literature Reference DOI 10.1002/hlca.19910740838
Molecular Weight 486.737 g/mol
SMILES O[C@]1(CC[C@@]2([C@@](CCCO)([C@]1(CCC=C(C=C[C@@]1(C(=CC[C@@](C1(C)C)(C)[H])C)[H])C)CO2)[H])C(C=O)C)C
SPLASH splash10-08fu-9500000000-96ae98f42c7988738a15
Source of Spectrum H-74-2042-18
Wiley ID 1789399