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1-Hydroxy-3-pentyl-9,9-dimethyl-7-[(pentylfluorophenyl)methoxycarbonyl]-10-oxa-5b,6,8a-tetrahydrophenanthrene
SpectraBase Compound ID BMg7e34TcsE
InChI InChI=1S/C28H29F5O4/c1-4-5-6-7-14-10-17-16-9-8-15(12-19(16)28(2,3)37-26(17)20(34)11-14)27(35)36-13-18-21(29)23(31)25(33)24(32)22(18)30/h10-12,16,19,34H,4-9,13H2,1-3H3
InChIKey HWYRQEKNYSEOCI-UHFFFAOYSA-N
Mol Weight 524.53 g/mol
Molecular Formula C28H29F5O4
Exact Mass 524.1986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DCLGSdiGB4
Name 1-Hydroxy-3-pentyl-9,9-dimethyl-7-[(pentylfluorophenyl)methoxycarbonyl]-10-oxa-5b,6,8a-tetrahydrophenanthrene
Alternate Name(s) 1-Hydroxy-3-pentyl-9,9-dimethyl-7-[(pentylfluorophenyl)methoxycarbonyl]-10-oxa-5b,6,8a-tetrahydrophenanthrane 2,3,4,5,6-pentafluorobenzyl 4-hydroxy-6,6-dimethyl-2-pentyl-6a,9,10,10a-tetrahydro-6H-benzo[c]chromene-8-carboxylate
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Formula C28H29F5O4
InChI InChI=1S/C28H29F5O4/c1-4-5-6-7-14-10-17-16-9-8-15(12-19(16)28(2,3)37-26(17)20(34)11-14)27(35)36-13-18-21(29)23(31)25(33)24(32)22(18)30/h10-12,16,19,34H,4-9,13H2,1-3H3
InChIKey HWYRQEKNYSEOCI-UHFFFAOYSA-N
Molecular Weight 524.528 g/mol
SMILES Oc1c2c(C3CCC(=CC3C(O2)(C)C)C(OCc2c(c(F)c(c(c2F)F)F)F)=O)cc(c1)CCCCC
SPLASH splash10-059t-3972070000-dc95022d74117bd9df38
Source of Spectrum CJ-1992-0-0
Wiley ID 1402515