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Neo-Calycopterone
SpectraBase Compound ID KGWE4NqpHMj
InChI InChI=1S/C35H34O10/c1-38-30-26-28(25-22(36)18-24(20-14-10-7-11-15-20)43-29(25)32(30)40-3)45-35-21(16-17-23(44-35)19-12-8-6-9-13-19)27(37)31(39-2)33(41-4)34(26,35)42-5/h6-16,22-24,36H,17-18H2,1-5H3/t22-,23+,24+,34+,35+/m0/s1
InChIKey CAPJLGPKGOVWIU-YIYLECCTSA-N
Mol Weight 614.6 g/mol
Molecular Formula C35H34O10
Exact Mass 614.215197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpLVnKxuj1J
Name Neo-Calycopterone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H34O10
InChI InChI=1S/C35H34O10/c1-38-30-26-28(25-22(36)18-24(20-14-10-7-11-15-20)43-29(25)32(30)40-3)45-35-21(16-17-23(44-35)19-12-8-6-9-13-19)27(37)31(39-2)33(41-4)34(26,35)42-5/h6-16,22-24,36H,17-18H2,1-5H3/t22-,23+,24+,34+,35+/m0/s1
InChIKey CAPJLGPKGOVWIU-YIYLECCTSA-N
Molecular Weight 614.647 g/mol
SMILES O[C@@]1(c2c3c([C@@]4([C@@]5(C(=CC[C@@](O5)(c5ccccc5)[H])C(C(=C4OC)OC)=O)O3)OC)c(c(c2O[C@@](c2ccccc2)(C1)[H])OC)OC)[H]
SPLASH splash10-0i00-0549237000-2c86e7c040b5dcd282ae
Source of Spectrum G4-62-1277-1
Synonyms (2R,7aR,11R,13S,14aR)-13-hydroxy-6,7,7a,8,9-pentamethoxy-2,11-diphenyl-2,3,12,13-tetrahydro-11H-chromeno[8',8a':4,5]furo[2,3-f]chromen-5(7aH)-one
Wiley ID 1607976