| SpectraBase Compound ID | 9s8bE9bVP6s |
|---|---|
| InChI | InChI=1S/C52H86O22/c1-46(2)13-14-51-22-68-52(29(51)15-46)12-8-28-47(3)10-9-31(48(4,21-55)27(47)7-11-49(28,5)50(52,6)16-30(51)58)71-45-41(33(60)24(57)20-67-45)74-44-38(65)40(73-43-37(64)35(62)34(61)25(17-53)69-43)39(26(18-54)70-44)72-42-36(63)32(59)23(56)19-66-42/h23-45,53-65H,7-22H2,1-6H3/t23?,24?,25?,26-,27?,28+,29-,30+,31?,32?,33?,34-,35-,36?,37-,38-,39?,40+,41?,42?,43+,44?,45?,47?,48?,49-,50+,51-,52+/m0/s1 |
| InChIKey | KWPXWAXXLYHTQG-BYWRTGOASA-N |
| Mol Weight | 1063.2 g/mol |
| Molecular Formula | C52H86O22 |
| Exact Mass | 1062.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CNIIRscUPIQ |
|---|---|
| Name | 23-Hydroxy-protoprimulagenin-A |
| Comments | J - MODULATION (90-1/J-180-1/J-ACQ |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C52H86O22 |
| InChI | InChI=1S/C52H86O22/c1-46(2)13-14-51-22-68-52(29(51)15-46)12-8-28-47(3)10-9-31(48(4,21-55)27(47)7-11-49(28,5)50(52,6)16-30(51)58)71-45-41(33(60)24(57)20-67-45)74-44-38(65)40(73-43-37(64)35(62)34(61)25(17-53)69-43)39(26(18-54)70-44)72-42-36(63)32(59)23(56)19-66-42/h23-45,53-65H,7-22H2,1-6H3/t23?,24?,25?,26-,27?,28+,29-,30+,31?,32?,33?,34-,35-,36?,37-,38-,39?,40+,41?,42?,43+,44?,45?,47?,48?,49-,50+,51-,52+/m0/s1 |
| InChIKey | KWPXWAXXLYHTQG-BYWRTGOASA-N |
| Instrument Name | SF = 250 MHz |
| Literature Reference | Phytochem. 26, 787 (1987). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine-D5 |