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TEPHROSIN

View entire compound with spectra: 3 NMR, and 3 MS (GC)

TEPHROSIN
SpectraBase Compound ID 6eYgOtTYtlA
InChI InChI=1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1
InChIKey AQBZCCQCDWNNJQ-AUSIDOKSSA-N
Mol Weight 410.42 g/mol
Molecular Formula C23H22O7
Exact Mass 410.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dQbRp6WKGa
Name (7aR,13aR)-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one
CAS Registry Number 76-80-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O7
InChI InChI=1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1
InChIKey AQBZCCQCDWNNJQ-AUSIDOKSSA-N
Molecular Weight 410.422 g/mol
SMILES O[C@@]12[C@](Oc3c(C2=O)ccc2c3C=CC(O2)(C)C)(COc2c1cc(c(c2)OC)OC)[H]
SPLASH splash10-0a4i-0090200000-57a7499a1e566556f283
Source of Spectrum E1-41-190-2
Synonyms 3H-bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one, 13,13a-dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-, (7aR,13aR)- Deguelinol I Hydroxydeguelin Tephrosin CCRIS 7115
Wiley ID 1551806