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1-Allyl-6(S)-hydroxy-6-[(2'S,5'R)-5'-(1''-hydroxy-1''-methylethyl)-2'-methyl-tetrahydro-furan-2'-yl]-3-methyl-hex-2-enyl - p-Nitrobenzoate
SpectraBase Compound ID 8Pi5HOrQ4WK
InChI InChI=1S/C25H35NO7/c1-6-7-20(32-23(28)18-9-11-19(12-10-18)26(30)31)16-17(2)8-13-21(27)25(5)15-14-22(33-25)24(3,4)29/h6,9-12,16,20-22,27,29H,1,7-8,13-15H2,2-5H3/b17-16+/t20?,21-,22+,25-/m0/s1
InChIKey DMNPIYADTSAAAG-XSCYFASNSA-N
Mol Weight 461.6 g/mol
Molecular Formula C25H35NO7
Exact Mass 461.241352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmlyCGV6rPa
Name 1-Allyl-6(S)-hydroxy-6-[(2'S,5'R)-5'-(1''-hydroxy-1''-methylethyl)-2'-methyl-tetrahydro-furan-2'-yl]-3-methyl-hex-2-enyl - p-Nitrobenzoate
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Formula C25H35NO7
InChI InChI=1S/C25H35NO7/c1-6-7-20(32-23(28)18-9-11-19(12-10-18)26(30)31)16-17(2)8-13-21(27)25(5)15-14-22(33-25)24(3,4)29/h6,9-12,16,20-22,27,29H,1,7-8,13-15H2,2-5H3/b17-16+/t20?,21-,22+,25-/m0/s1
InChIKey DMNPIYADTSAAAG-XSCYFASNSA-N
Molecular Weight 461.555 g/mol
SMILES OC([C@@]1(O[C@]([C@](CC\C(=C\C(OC(c2ccc(N(=O)=O)cc2)=O)CC=C)C)(O)[H])(CC1)C)[H])(C)C
SPLASH splash10-00mo-0900000000-a3239d1014a59ea66fd1
Source of Spectrum F5-5-1612-30
Synonyms 1-Allyl-6-hydroxy-6-[5'-(1''-hydroxy-1''-methylethyl)-2'-methyl-tetrahydrofuran-2'-yl]-3-methylhex-2-enyl - p-Nitrobenzoate (9S,E)-9-hydroxy-9-((2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-6-methylnona-1,5-dien-4-yl 4-nitrobenzoate
Wiley ID 1733187