| SpectraBase Compound ID | ATAvlRlCku1 |
|---|---|
| InChI | InChI=1S/C40H72O14/c1-11-20(2)12-21(3)13-26(8)38(54-40-37(50)36(49)35(48)31(18-42)53-40)27(9)15-24(6)32(45)22(4)14-23(5)33(46)25(7)16-28(10)39(51)52-19-30(44)34(47)29(43)17-41/h14-16,20-22,25-27,29-38,40-50H,11-13,17-19H2,1-10H3/b23-14+,24-15+,28-16+/t20?,21?,22?,25?,26?,27?,29-,30-,31-,32?,33?,34+,35-,36+,37+,38?,40+/m0/s1 |
| InChIKey | PQKVMUDGLBZIJJ-SILLZLALSA-N |
| Mol Weight | 777.0 g/mol |
| Molecular Formula | C40H72O14 |
| Exact Mass | 776.492207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14Dwe9KCSlE |
|---|---|
| Name | ROSELIPIN-1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H72O14 |
| InChI | InChI=1S/C40H72O14/c1-11-20(2)12-21(3)13-26(8)38(54-40-37(50)36(49)35(48)31(18-42)53-40)27(9)15-24(6)32(45)22(4)14-23(5)33(46)25(7)16-28(10)39(51)52-19-30(44)34(47)29(43)17-41/h14-16,20-22,25-27,29-38,40-50H,11-13,17-19H2,1-10H3/b23-14+,24-15+,28-16+/t20?,21?,22?,25?,26?,27?,29-,30-,31-,32?,33?,34+,35-,36+,37+,38?,40+/m0/s1 |
| InChIKey | PQKVMUDGLBZIJJ-SILLZLALSA-N |
| Literature Reference Author | N.TABATA,Y.OHYAMA,H.TOMODA,T.ABE,M.NAMIKOSHI,S.OMURA |
| Literature Reference Citation | J.ANTIBIOTICS,52,815(1999) |
| Literature Reference DOI | 10.7164/antibiotics.52.815 |
| Molecular Weight | 777.003 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU1038 |