| SpectraBase Compound ID | 1b7jmEfxsAI |
|---|---|
| InChI | InChI=1S/C58H94O28/c1-21-32(66)35(69)38(72)48(79-21)83-43-28(64)19-77-47(41(43)75)82-42-22(2)80-49(40(74)37(42)71)84-44-33(67)27(63)18-78-51(44)86-52(76)58-12-11-53(3,4)13-24(58)23-9-10-30-54(5)14-26(62)46(85-50-39(73)36(70)34(68)29(17-59)81-50)55(6,20-60)45(54)25(61)15-57(30,8)56(23,7)16-31(58)65/h9,21-22,24-51,59-75H,10-20H2,1-8H3/t21-,22-,24?,25?,26-,27-,28+,29+,30?,31+,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44+,45?,46-,47-,48+,49+,50-,51+,54+,55-,56+,57+,58+/m1/s1 |
| InChIKey | SHKGFTXUBGNKSG-VHBOLRLWSA-N |
| Mol Weight | 1239.4 g/mol |
| Molecular Formula | C58H94O28 |
| Exact Mass | 1238.593162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2scrtJiBaDK |
|---|---|
| Name | 16alpha-HYDROXY MI-SAPONIN A |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C58H94O28 |
| InChI | InChI=1S/C58H94O28/c1-21-32(66)35(69)38(72)48(79-21)83-43-28(64)19-77-47(41(43)75)82-42-22(2)80-49(40(74)37(42)71)84-44-33(67)27(63)18-78-51(44)86-52(76)58-12-11-53(3,4)13-24(58)23-9-10-30-54(5)14-26(62)46(85-50-39(73)36(70)34(68)29(17-59)81-50)55(6,20-60)45(54)25(61)15-57(30,8)56(23,7)16-31(58)65/h9,21-22,24-51,59-75H,10-20H2,1-8H3/t21-,22-,24?,25?,26-,27-,28+,29+,30?,31+,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44+,45?,46-,47-,48+,49+,50-,51+,54+,55-,56+,57+,58+/m1/s1 |
| InChIKey | SHKGFTXUBGNKSG-VHBOLRLWSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |