| SpectraBase Compound ID | 6IlWiKTGzZG |
|---|---|
| InChI | InChI=1S/C44H70O14/c1-22-30(49)34(58-37-33(52)35(55-23(2)47)31(50)24(19-45)56-37)32(51)36(54-22)57-29-11-12-39(5)25(40(29,6)20-46)9-13-41(7)26(39)10-14-44-27-17-38(3,4)15-16-43(27,21-53-44)28(48)18-42(41,44)8/h10,14,22,24-37,45-46,48-52H,9,11-13,15-21H2,1-8H3/t22?,24?,25?,26-,27+,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41-,42+,43-,44+/m1/s1 |
| InChIKey | HAUJZZHHHIUYEJ-RVGJRAKHSA-N |
| Mol Weight | 823.0 g/mol |
| Molecular Formula | C44H70O14 |
| Exact Mass | 822.476557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Coh8t30oIG |
|---|---|
| Name | Saikosaponin-D 3-O-acetate |
| CAS Registry Number | 64032-48-0 |
| Comments | ACETYLATION SHIFTS REPORTED 16 ALPHA-OH |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C44H70O14 |
| InChI | InChI=1S/C44H70O14/c1-22-30(49)34(58-37-33(52)35(55-23(2)47)31(50)24(19-45)56-37)32(51)36(54-22)57-29-11-12-39(5)25(40(29,6)20-46)9-13-41(7)26(39)10-14-44-27-17-38(3,4)15-16-43(27,21-53-44)28(48)18-42(41,44)8/h10,14,22,24-37,45-46,48-52H,9,11-13,15-21H2,1-8H3/t22?,24?,25?,26-,27+,28-,29?,30?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41-,42+,43-,44+/m1/s1 |
| InChIKey | HAUJZZHHHIUYEJ-RVGJRAKHSA-N |
| Instrument Name | Varian NV-14 |
| Literature Reference | H. Ishii, S. Seo, K. Tori, Tetrahedron Lett. 1227 (1977). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |