| SpectraBase Compound ID | ZxJkUpCJ14 |
|---|---|
| InChI | InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9+ |
| InChIKey | BKGUPIVDQHHVMV-NTEUORMPSA-N |
| Mol Weight | 514.6 g/mol |
| Molecular Formula | C28H34O9 |
| Exact Mass | 514.220283 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6Vi3g764Ggv |
|---|---|
| Name | Schisanthrin C |
| CAS Registry Number | 58546-55-7 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H34O9 |
| InChI | InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9+ |
| InChIKey | BKGUPIVDQHHVMV-NTEUORMPSA-N |
| Molecular Weight | 514.571 g/mol |
| SMILES | OC1(C(c2c(c(c(c(OC)c2)OC)OC)-c2c(c3c(cc2CC1C)OCO3)OC)OC(=O)\C(C)=C\C)C |
| SPLASH | splash10-0mji-9038030000-532dcb564c9b977a9053 |
| Source of Spectrum | W5-1989-35001-30535 |
| Synonyms | 6-Hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxol-5-yl (2Z)-2-methyl-2-butenoate 2-Butenoic acid, 2-methyl-, 5,6,7,8-tetrahydro-6-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethylbenzo(3,4)cycloocta(1,2-f)(1,3)benzodioxol-5-yl ester, (5S-(5alpha(Z),6beta,7beta))- Gomisin B Schisandrer B Schisantherin B |
| Wiley ID | 1401115 |