| SpectraBase Compound ID | CzvS9U6PPl9 |
|---|---|
| InChI | InChI=1S/C49H84O21/c1-8-11-17-21-29-22-18-15-13-12-14-16-19-23-32(52)65-43-40(68-46-38(58)37(57)39(27(6)61-46)67-45(59)25(4)10-3)28(7)62-49(44(43)66-31(51)20-9-2)70-42-36(56)34(54)30(24-50)64-48(42)69-41-35(55)33(53)26(5)60-47(41)63-29/h25-30,33-44,46-50,53-58H,8-24H2,1-7H3/t25?,26-,27-,28+,29?,30-,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43+,44-,46+,47+,48+,49+/m1/s1 |
| InChIKey | SRKLMZZXYWBRGB-LWQAZKJFSA-N |
| Mol Weight | 1009.2 g/mol |
| Molecular Formula | C49H84O21 |
| Exact Mass | 1008.55051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4gs23a0g41F |
|---|---|
| Name | TYRIANTHIN_6 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H84O21 |
| InChI | InChI=1S/C49H84O21/c1-8-11-17-21-29-22-18-15-13-12-14-16-19-23-32(52)65-43-40(68-46-38(58)37(57)39(27(6)61-46)67-45(59)25(4)10-3)28(7)62-49(44(43)66-31(51)20-9-2)70-42-36(56)34(54)30(24-50)64-48(42)69-41-35(55)33(53)26(5)60-47(41)63-29/h25-30,33-44,46-50,53-58H,8-24H2,1-7H3/t25?,26-,27-,28+,29?,30-,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43+,44-,46+,47+,48+,49+/m1/s1 |
| InChIKey | SRKLMZZXYWBRGB-LWQAZKJFSA-N |
| Literature Reference Author | G.MIRON-LOPEZ.M.HERRERA-RUIZ,S.ESTRADO-SOTO,F.AGUIRRE-CRESPO ,L.VAZQUEZ-NAVARRETE |
| Literature Reference Citation | J.NAT.PROD.,70,557(2007) |
| Literature Reference DOI | 10.1021/np0604634 |
| Molecular Weight | 1009.193 g/mol |
| Sample ID | 30102 |
| Solvent | ACETONE-D6 |