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3',3'-bis-[heraclenin]

View entire compound with spectra: 1 MS (GC)

3',3'-bis-[heraclenin]
SpectraBase Compound ID 3L2zg9ySI98
InChI InChI=1S/C32H26O10/c1-31(2)21(41-31)13-37-29-25-15(5-7-23(33)39-25)9-17-19(11-35-27(17)29)20-12-36-28-18(20)10-16-6-8-24(34)40-26(16)30(28)38-14-22-32(3,4)42-22/h5-12,21-22H,13-14H2,1-4H3/t21-,22-/m1/s1
InChIKey PXGDAFLLEQDARS-FGZHOGPDSA-N
Mol Weight 570.6 g/mol
Molecular Formula C32H26O10
Exact Mass 570.152597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ayKfoFHc0
Name 3',3'-bis-[heraclenin]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H26O10
InChI InChI=1S/C32H26O10/c1-31(2)21(41-31)13-37-29-25-15(5-7-23(33)39-25)9-17-19(11-35-27(17)29)20-12-36-28-18(20)10-16-6-8-24(34)40-26(16)30(28)38-14-22-32(3,4)42-22/h5-12,21-22H,13-14H2,1-4H3/t21-,22-/m1/s1
InChIKey PXGDAFLLEQDARS-FGZHOGPDSA-N
Molecular Weight 570.550 g/mol
SMILES c1(-c2c3c(c(OC[C@]4(OC4(C)C)[H])c4c(c3)C=CC(O4)=O)oc2)c2c(c(OC[C@]3(OC3(C)C)[H])c3c(c2)C=CC(=O)O3)oc1
SPLASH splash10-0uk9-0590020000-21584167f5cf23b2ca36
Source of Spectrum SK-32-1532-4
Wiley ID 1548691