| SpectraBase Compound ID | 2vy7kKbNtyf |
|---|---|
| InChI | InChI=1S/C43H72O14/c1-21-29(48)34(57-36-32(51)31(50)30(49)25(18-44)55-36)33(52)37(54-21)56-28-10-11-39(4)26(40(28,5)19-45)9-12-41(6)35(39)24(53-8)15-22-23-16-38(2,3)13-14-43(23,20-46)27(47)17-42(22,41)7/h15,21,23-37,44-52H,9-14,16-20H2,1-8H3/t21-,23?,24-,25-,26?,27+,28+,29+,30-,31+,32-,33-,34+,35?,36+,37+,39+,40+,41-,42-,43-/m0/s1 |
| InChIKey | GLQYFMRUYWFXGT-MRCPUBQCSA-N |
| Mol Weight | 813.0 g/mol |
| Molecular Formula | C43H72O14 |
| Exact Mass | 812.492207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DE0zZRUfbme |
|---|---|
| Name | SAIKOSAPONIN B3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C43H72O14 |
| InChI | InChI=1S/C43H72O14/c1-21-29(48)34(57-36-32(51)31(50)30(49)25(18-44)55-36)33(52)37(54-21)56-28-10-11-39(4)26(40(28,5)19-45)9-12-41(6)35(39)24(53-8)15-22-23-16-38(2,3)13-14-43(23,20-46)27(47)17-42(22,41)7/h15,21,23-37,44-52H,9-14,16-20H2,1-8H3/t21-,23?,24-,25-,26?,27+,28+,29+,30-,31+,32-,33-,34+,35?,36+,37+,39+,40+,41-,42-,43-/m0/s1 |
| InChIKey | GLQYFMRUYWFXGT-MRCPUBQCSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |