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3-O-Methylsoraphene
SpectraBase Compound ID EIGD8JtU8jz
InChI InChI=1S/C30H46O8/c1-19-17-18-25(34-5)24(33-4)16-12-11-15-23(22-13-9-8-10-14-22)37-29(32)21(3)30(36-7)28(35-6)26(31)20(2)27(19)38-30/h8-10,13-14,17-21,23-28,31H,11-12,15-16H2,1-7H3/b18-17+/t19-,20-,21+,23?,24-,25+,26-,27-,28+,30+/m0/s1
InChIKey VQSJQXOVGLKGNL-GTIFDCOCSA-N
Mol Weight 534.7 g/mol
Molecular Formula C30H46O8
Exact Mass 534.319268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1g4sPBCcmNa
Name 3-O-Methylsoraphene
Alternate Name(s) (1R,2S,10S,11R,12E,14S,15S,16S,17S,18R)-17-hydroxy-1,10,11,18-tetramethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H46O8
InChI InChI=1S/C30H46O8/c1-19-17-18-25(34-5)24(33-4)16-12-11-15-23(22-13-9-8-10-14-22)37-29(32)21(3)30(36-7)28(35-6)26(31)20(2)27(19)38-30/h8-10,13-14,17-21,23-28,31H,11-12,15-16H2,1-7H3/b18-17+/t19-,20-,21+,23?,24-,25+,26-,27-,28+,30+/m0/s1
InChIKey VQSJQXOVGLKGNL-GTIFDCOCSA-N
Molecular Weight 534.690 g/mol
SMILES O[C@@]1([C@]([C@@]2(O[C@]([C@]1(C)[H])([C@](\C=C\[C@]([C@@](OC)(CCCCC(OC([C@]2(C)[H])=O)c1ccccc1)[H])(OC)[H])(C)[H])[H])OC)(OC)[H])[H]
SPLASH splash10-0a4i-0910000000-5509d81249361fb86ffe
Source of Spectrum U-1995-808-5
Wiley ID 766757