| SpectraBase Compound ID | 3ahp6qk1EoN |
|---|---|
| InChI | InChI=1S/C37H48O21/c1-15-31(57-36-29(49)27(47)26(46)23(13-38)54-36)28(48)30(50)35(52-15)58-33-32(56-25(45)8-5-17-3-6-19(41)21(43)11-17)24(14-39)55-37(34(33)53-16(2)40)51-10-9-18-4-7-20(42)22(44)12-18/h3-8,11-12,15,23-24,26-39,41-44,46-50H,9-10,13-14H2,1-2H3/b8-5+/t15-,23-,24-,26-,27+,28-,29-,30+,31-,32-,33+,34-,35-,36+,37-/m1/s1 |
| InChIKey | NOMPARLBHVUPRK-JSEUHWODSA-N |
| Mol Weight | 828.8 g/mol |
| Molecular Formula | C37H48O21 |
| Exact Mass | 828.268809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPUdbJT1MDC |
|---|---|
| Name | MONOACETYLROSSICASIDE-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H48O21 |
| InChI | InChI=1S/C37H48O21/c1-15-31(57-36-29(49)27(47)26(46)23(13-38)54-36)28(48)30(50)35(52-15)58-33-32(56-25(45)8-5-17-3-6-19(41)21(43)11-17)24(14-39)55-37(34(33)53-16(2)40)51-10-9-18-4-7-20(42)22(44)12-18/h3-8,11-12,15,23-24,26-39,41-44,46-50H,9-10,13-14H2,1-2H3/b8-5+/t15-,23-,24-,26-,27+,28-,29-,30+,31-,32-,33+,34-,35-,36+,37-/m1/s1 |
| InChIKey | NOMPARLBHVUPRK-JSEUHWODSA-N |
| Literature Reference Author | C.A.BOROS,D.R.MARSHALL,C.R.CATERINO,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,506(1991) |
| Literature Reference DOI | 10.1021/np50074a024 |
| Molecular Weight | 828.776 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWTS1287 |