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Chillanamine
SpectraBase Compound ID BlI2NgcSufg
InChI InChI=1S/C37H42N2O7/c1-38-14-12-23-18-34(44-4)31(40)20-27(23)29(38)16-22-6-9-26(10-7-22)46-37-33(43-3)11-8-25(36(37)42)17-30-28-21-32(41)35(45-5)19-24(28)13-15-39(30)2/h6-11,18-21,29-30,40-42H,12-17H2,1-5H3/t29-,30+/m1/s1
InChIKey MUFQYJDVPQWLSQ-IHLOFXLRSA-N
Mol Weight 626.8 g/mol
Molecular Formula C37H42N2O7
Exact Mass 626.299202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VbbwkyB7dA
Name Chillanamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H42N2O7
InChI InChI=1S/C37H42N2O7/c1-38-14-12-23-18-34(44-4)31(40)20-27(23)29(38)16-22-6-9-26(10-7-22)46-37-33(43-3)11-8-25(36(37)42)17-30-28-21-32(41)35(45-5)19-24(28)13-15-39(30)2/h6-11,18-21,29-30,40-42H,12-17H2,1-5H3/t29-,30+/m1/s1
InChIKey MUFQYJDVPQWLSQ-IHLOFXLRSA-N
Molecular Weight 626.750 g/mol
SMILES Oc1c(cc2c([C@](Cc3ccc(c(c3O)Oc3ccc(C[C@@]4(c5c(cc(c(c5)O)OC)CCN4C)[H])cc3)OC)(N(CC2)C)[H])c1)OC
SPLASH splash10-0006-0900000000-c02c036ce86dc93df3a1
Source of Spectrum X2-50-543-229
Wiley ID 1602309