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Yanangin

View entire compound with spectra: 1 MS (GC)

Yanangin
SpectraBase Compound ID 7A6q3twW0TU
InChI InChI=1S/C36H36N2O6/c1-37-11-9-21-17-30-31-18-23(21)26(37)15-19-5-7-28(39)24(13-19)25-14-20(6-8-29(25)41-3)16-27-32-22(10-12-38(27)2)33(40)35(42-4)36(44-30)34(32)43-31/h5-8,13-14,17-18,26-27,39-40H,9-12,15-16H2,1-4H3/t26-,27?/m0/s1
InChIKey SKVLZQWBNXMJEZ-QBHOUYDASA-N
Mol Weight 592.7 g/mol
Molecular Formula C36H36N2O6
Exact Mass 592.257337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LG4aGPneM5s
Name Yanangin
Alternate Name(s) (4(12)S)-2(6),4(6)-dimethoxy-4(2),4(11)-dimethyl-4(1),4(2),4(3),4(4),4(9),4(10),4(11),4(12)-octahydro-4(1,12)-[1,4]dioxino[2,3-g:6,5-h']diisoquinolina-1,2(1,3)-dibenzenacyclopentaphane-1(6),4(5)-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H36N2O6
InChI InChI=1S/C36H36N2O6/c1-37-11-9-21-17-30-31-18-23(21)26(37)15-19-5-7-28(39)24(13-19)25-14-20(6-8-29(25)41-3)16-27-32-22(10-12-38(27)2)33(40)35(42-4)36(44-30)34(32)43-31/h5-8,13-14,17-18,26-27,39-40H,9-12,15-16H2,1-4H3/t26-,27?/m0/s1
InChIKey SKVLZQWBNXMJEZ-QBHOUYDASA-N
Molecular Weight 592.692 g/mol
SMILES Oc1ccc2C[C@]3(c4c(cc5c(Oc6c(c(c(c7c6C(Cc6ccc(c(-c1c2)c6)OC)N(CC7)C)O)OC)O5)c4)CCN3C)[H]
SPLASH splash10-015c-0609030000-0ea29da14eb126ff5dc3
Source of Spectrum APC-319-848-1
Wiley ID 1788315