| 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)
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| SpectraBase Spectrum ID | 298iG47CetF |
|---|---|
| Name | Chamaejasmin |
| Alternate Name(s) | (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 |
| 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 |
| Wiley ID | 1404851 |