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8.alpha.,13-Epoxylabdane-2,20-diyl Chlorophosphate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

8.alpha.,13-Epoxylabdane-2,20-diyl Chlorophosphate
SpectraBase Compound ID APjCaidcIT
InChI InChI=1S/C20H34ClO4P/c1-6-18(4)9-7-16-19(5,25-18)10-8-15-17(2,3)11-14-12-20(15,16)13-23-26(21,22)24-14/h14-16H,6-13H2,1-5H3/t14-,15?,16?,18+,19-,20-,26?/m1/s1
InChIKey UDDZQVDNCCPKFD-RXJHGVIJSA-N
Mol Weight 404.9 g/mol
Molecular Formula C20H34ClO4P
Exact Mass 404.188324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8mxd5i6jZ8
Name 8.alpha.,13-Epoxylabdane-2,20-diyl Chlorophosphate
Alternate Name(s) (1R,9S,10S,11R,14S)-4-chloro-14-ethyl-8,8,10,14-tetramethyl-3,5,15-trioxa-4-phosphatetracyclo[7.6.2.1(6,10).0(1,11)]octadecane 4-oxide 8a,13-epoxylabdane-2b,20diyl chlorophosphate
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Formula C20H34ClO4P
InChI InChI=1S/C20H34ClO4P/c1-6-18(4)9-7-16-19(5,25-18)10-8-15-17(2,3)11-14-12-20(15,16)13-23-26(21,22)24-14/h14-16H,6-13H2,1-5H3/t14-,15?,16?,18+,19-,20-,26?/m1/s1
InChIKey UDDZQVDNCCPKFD-RXJHGVIJSA-N
Molecular Weight 404.915 g/mol
SMILES [C@]12(OP(OC[C@@]3(C2)C2[C@@](O[C@](CC2)(CC)C)(C)CCC3C(C1)(C)C)(=O)Cl)[H]
SPLASH splash10-0kdl-0095000000-3ea041d0ccaa9c8c6845
Source of Spectrum B-44-487-0
Wiley ID 1371169