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Chamaejasmin
SpectraBase Compound ID B9yI7kcaeTI
InChI InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)29-25(27(37)23-19(35)9-17(33)11-21(23)39-29)26-28(38)24-20(36)10-18(34)12-22(24)40-30(26)14-3-7-16(32)8-4-14/h1-12,25-26,29-36H/t25-,26-,29+,30+/m0/s1
InChIKey RNQBLQALVMHBKH-SRPPIYJJSA-N
Mol Weight 542.5 g/mol
Molecular Formula C30H22O10
Exact Mass 542.121297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 298iG47CetF
Name Chamaejasmin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22O10
InChI InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)29-25(27(37)23-19(35)9-17(33)11-21(23)39-29)26-28(38)24-20(36)10-18(34)12-22(24)40-30(26)14-3-7-16(32)8-4-14/h1-12,25-26,29-36H/t25-,26-,29+,30+/m0/s1
InChIKey RNQBLQALVMHBKH-SRPPIYJJSA-N
Molecular Weight 542.496 g/mol
SMILES Oc1ccc([C@]2(Oc3cc(cc(c3C([C@@]2([C@]2(C(c3c(cc(cc3O[C@@]2(c2ccc(cc2)O)[H])O)O)=O)[H])[H])=O)O)O)[H])cc1
SPLASH splash10-00di-1391000000-921ca7bba91d8b6dd850
Source of Spectrum CD-336-0-0
Synonyms (2S,3R)-2-(4-hydroxyphenyl)-3-[(2S,3R)-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one (2S,3R)-3-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-keto-chroman-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one (2S,3R)-3-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (2S,3R)-3-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one (2S,3R)-3-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chroman-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
Wiley ID 1404851