| SpectraBase Compound ID | Lko9UHkttPL |
|---|---|
| InChI | InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18-,19-,20-/m1/s1 |
| InChIKey | YJGVMLPVUAXIQN-WNISUXOKSA-N |
| Mol Weight | 414.41 g/mol |
| Molecular Formula | C22H22O8 |
| Exact Mass | 414.131468 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LgL1KQYk1b3 |
|---|---|
| Name | Isopodophyllotoxin |
| CAS Registry Number | 26540-82-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H22O8 |
| InChI | InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18-,19-,20-/m1/s1 |
| InChIKey | YJGVMLPVUAXIQN-WNISUXOKSA-N |
| Molecular Weight | 414.410 g/mol |
| SMILES | O[C@@]1(c2c(cc3c(c2)OCO3)[C@]([C@]2([C@]1(COC2=O)[H])[H])(c1cc(OC)c(c(c1)OC)OC)[H])[H] |
| SPLASH | splash10-0006-9000000000-aa83b4620976a7a3274d |
| Source of Spectrum | J-54-4289-31 |
| Synonyms | (5R,5aS,8aS,9S)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one (5S,5aS,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one (5S,5aS,8aS,9R)-5-oxidanyl-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| Wiley ID | 1375339 |