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Securine C
SpectraBase Compound ID BuPLIJpjSpN
InChI InChI=1S/C30H26O7/c1-31-27-21(13-15-23-29(27)35-17-33-23)25(19-9-5-3-6-10-19)37-26(20-11-7-4-8-12-20)22-14-16-24-30(28(22)32-2)36-18-34-24/h3-16,25-26H,17-18H2,1-2H3/t25-,26+
InChIKey KNUHYLGFYPKJLR-WMPKNSHKSA-N
Mol Weight 498.53 g/mol
Molecular Formula C30H26O7
Exact Mass 498.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGawZz4o9lr
Name Securine C
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H26O7
InChI InChI=1S/C30H26O7/c1-31-27-21(13-15-23-29(27)35-17-33-23)25(19-9-5-3-6-10-19)37-26(20-11-7-4-8-12-20)22-14-16-24-30(28(22)32-2)36-18-34-24/h3-16,25-26H,17-18H2,1-2H3/t25-,26+
InChIKey KNUHYLGFYPKJLR-WMPKNSHKSA-N
Instrument Name Finnigan MAT-95
Ionization Type EI
Literature Reference DOI 10.1002/cjoc.202000094
Molecular Weight 498.531 g/mol
Optical Rotation [a]D22 = -1 (c = 0.1, MeOH)
Reported Formula C30H26O7
SMILES c12c(c(ccc2OCO1)[C@](c1ccccc1)(O[C@@](c1c(c2c(cc1)OCO2)OC)(c1ccccc1)[H])[H])OC
SPLASH splash10-0006-2390000000-478c4cc9e98675daa5f5
Source of Spectrum CJC-38-SM27-3
Wiley ID 1856165