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(+-)-Hernandin

View entire compound with spectra: 1 MS (GC)

(+-)-Hernandin
SpectraBase Compound ID 93BcTZAqTRZ
InChI InChI=1S/C23H24O8/c1-25-14-6-12(7-15(26-2)20(14)27-3)17-18-11(5-13-9-29-23(24)19(13)17)8-16-21(22(18)28-4)31-10-30-16/h6-8,13,17,19H,5,9-10H2,1-4H3/t13-,17+,19-/m0/s1
InChIKey SXYMZPDEDWTMMB-IRWQIABSSA-N
Mol Weight 428.44 g/mol
Molecular Formula C23H24O8
Exact Mass 428.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gGwNimJAPe
Name (+-)-Hernandin
Alternate Name(s) (5R,5aR,8aR)-4-methoxy-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24O8
InChI InChI=1S/C23H24O8/c1-25-14-6-12(7-15(26-2)20(14)27-3)17-18-11(5-13-9-29-23(24)19(13)17)8-16-21(22(18)28-4)31-10-30-16/h6-8,13,17,19H,5,9-10H2,1-4H3/t13-,17+,19-/m0/s1
InChIKey SXYMZPDEDWTMMB-IRWQIABSSA-N
Molecular Weight 428.437 g/mol
SMILES c12[C@@](c3cc(OC)c(c(c3)OC)OC)([C@]3(C(OC[C@@]3(Cc1cc1OCOc1c2OC)[H])=O)[H])[H]
SPLASH splash10-004i-0220900000-113128a5df44981b0058
Source of Spectrum E1-37-72-2
Wiley ID 1517506