| SpectraBase Compound ID | D5iJlyIj5EM |
|---|---|
| InChI | InChI=1S/C45H70O13/c1-12-23(2)38(53)57-35-33(52)39(54-24(3)34(35)55-25(4)48)58-36-37(56-26(5)49)45(22-47)28(19-40(36,6)7)27-13-14-30-41(8)17-16-31(50)42(9,21-46)29(41)15-18-43(30,10)44(27,11)20-32(45)51/h12-13,24,28-37,39,46-47,50-52H,14-22H2,1-11H3/b23-12+/t24?,28-,29?,30?,31?,32-,33?,34?,35?,36?,37-,39?,41?,42?,43?,44+,45-/m1/s1 |
| InChIKey | VKKSPDIQSBEGAD-GGRIYRLNSA-N |
| Mol Weight | 819.0 g/mol |
| Molecular Formula | C45H70O13 |
| Exact Mass | 818.481642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lg3pKnLNHtZ |
|---|---|
| Name | 21-O-(4-O-Acetyl-3-O-angeloyl).beta.-D-fucopyranosyl-22-O-acetyl-protoaescigenin |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C45H70O13 |
| InChI | InChI=1S/C45H70O13/c1-12-23(2)38(53)57-35-33(52)39(54-24(3)34(35)55-25(4)48)58-36-37(56-26(5)49)45(22-47)28(19-40(36,6)7)27-13-14-30-41(8)17-16-31(50)42(9,21-46)29(41)15-18-43(30,10)44(27,11)20-32(45)51/h12-13,24,28-37,39,46-47,50-52H,14-22H2,1-11H3/b23-12+/t24?,28-,29?,30?,31?,32-,33?,34?,35?,36?,37-,39?,41?,42?,43?,44+,45-/m1/s1 |
| InChIKey | VKKSPDIQSBEGAD-GGRIYRLNSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Chem. Pharm. Bull. 33, 127 (1985). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |