| SpectraBase Compound ID | 5p4YQZ09Laj |
|---|---|
| InChI | InChI=1S/C42H74O15/c1-12-21(2)13-22(3)14-27(8)40(57-42-39(52)38(51)37(50)33(56-42)20-54-30(11)44)28(9)16-25(6)34(47)23(4)15-24(5)35(48)26(7)17-29(10)41(53)55-19-32(46)36(49)31(45)18-43/h15-17,21-23,26-28,31-40,42-43,45-52H,12-14,18-20H2,1-11H3/b24-15+,25-16+,29-17+/t21?,22?,23?,26?,27?,28?,31-,32-,33-,34?,35?,36+,37-,38+,39+,40?,42+/m0/s1 |
| InChIKey | NCIXLNTUPVOTSJ-MJRCMBKCSA-N |
| Mol Weight | 819.0 g/mol |
| Molecular Formula | C42H74O15 |
| Exact Mass | 818.502772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6roIVCsbN5c |
|---|---|
| Name | ROSELIPIN-2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H74O15 |
| InChI | InChI=1S/C42H74O15/c1-12-21(2)13-22(3)14-27(8)40(57-42-39(52)38(51)37(50)33(56-42)20-54-30(11)44)28(9)16-25(6)34(47)23(4)15-24(5)35(48)26(7)17-29(10)41(53)55-19-32(46)36(49)31(45)18-43/h15-17,21-23,26-28,31-40,42-43,45-52H,12-14,18-20H2,1-11H3/b24-15+,25-16+,29-17+/t21?,22?,23?,26?,27?,28?,31-,32-,33-,34?,35?,36+,37-,38+,39+,40?,42+/m0/s1 |
| InChIKey | NCIXLNTUPVOTSJ-MJRCMBKCSA-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 | 819.041 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRU1040 |