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(1'R,2'RS,5'S)-5'-[(1''S,3''S)-3''-Acetoxy-1'',5''-dimethyl-2''-oxohex-4''-en-1''-yl]-7-methoxy-2'-methyl-2'-vinylspiro[2H-[1]b enzopyran-3(4H)-1'-cyclopentane]-2,4-dione

View entire compound with spectra: 1 MS (GC)

(1'R,2'RS,5'S)-5'-[(1''S,3''S)-3''-Acetoxy-1'',5''-dimethyl-2''-oxohex-4''-en-1''-yl]-7-methoxy-2'-methyl-2'-vinylspiro[2H-[1]b enzopyran-3(4H)-1'-cyclopentane]-2,4-dione
SpectraBase Compound ID 1m623MXjKfd
InChI InChI=1S/C27H32O7/c1-8-26(6)12-11-20(16(4)23(29)22(13-15(2)3)33-17(5)28)27(26)24(30)19-10-9-18(32-7)14-21(19)34-25(27)31/h8-10,13-14,16,20,22H,1,11-12H2,2-7H3/t16-,20+,22-,26?,27-/m0/s1
InChIKey XPIBBCMJKDDJDY-SBXYTMOYSA-N
Mol Weight 468.5 g/mol
Molecular Formula C27H32O7
Exact Mass 468.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gjkam4Y0O
Name (1'R,2'RS,5'S)-5'-[(1''S,3''S)-3''-Acetoxy-1'',5''-dimethyl-2''-oxohex-4''-en-1''-yl]-7-methoxy-2'-methyl-2'-vinylspiro[2H-[1]b enzopyran-3(4H)-1'-cyclopentane]-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O7
InChI InChI=1S/C27H32O7/c1-8-26(6)12-11-20(16(4)23(29)22(13-15(2)3)33-17(5)28)27(26)24(30)19-10-9-18(32-7)14-21(19)34-25(27)31/h8-10,13-14,16,20,22H,1,11-12H2,2-7H3/t16-,20+,22-,26?,27-/m0/s1
InChIKey XPIBBCMJKDDJDY-SBXYTMOYSA-N
Literature Reference DOI 10.1002/hlca.19910740305
Molecular Weight 468.546 g/mol
SMILES [C@@]12([C@@]([C@@](C([C@@](OC(C)=O)(C=C(C)C)[H])=O)(C)[H])(CCC2(C)C=C)[H])C(Oc2cc(ccc2C1=O)OC)=O
SPLASH splash10-0a4u-5294000000-0eabffefd38bd045a050
Source of Spectrum H-74-499-2b,3b
Synonyms Ammodoremin Acetate (4S,6S)-6-((3S,5'R)-7-methoxy-2'-methyl-2,4-dioxo-2'-vinylspiro[chromane-3,1'-cyclopentan]-5'-yl)-2-methyl-5-oxohept-2-en-4-yl acetate
Wiley ID 1789193