| SpectraBase Compound ID | DeWHnj9k7LE |
|---|---|
| InChI | InChI=1S/C50H82O24/c1-18-5-8-50(66-16-18)19(2)32-28(74-50)10-22-20-9-24(54)23-11-27(25(55)12-49(23,4)21(20)6-7-48(22,32)3)67-45-40(64)37(61)41(31(15-53)70-45)71-47-43(73-46-39(63)36(60)34(58)29(13-51)68-46)42(35(59)30(14-52)69-47)72-44-38(62)33(57)26(56)17-65-44/h18-47,51-64H,5-17H2,1-4H3/t18-,19-,20?,21?,22?,23?,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+/m1/s1 |
| InChIKey | REIZDYUGEPBIJP-VMCKMHHPSA-N |
| Mol Weight | 1067.2 g/mol |
| Molecular Formula | C50H82O24 |
| Exact Mass | 1066.519603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IfuJb6qcYhf |
|---|---|
| Name | 25S-5alpha-SPIROSTAN-2alpha,3beta,6beta-TRIOL 3-O-beta-D-GLUCOPYRANOSYL-(1-2)-O-(beta-D-XYLOPYRANOSYL-(1-3))-O-beta-D-GLUCOPYRANOSYL-(1-4)-beta-D-GALACTO-PYRANOSIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C50H82O24 |
| InChI | InChI=1S/C50H82O24/c1-18-5-8-50(66-16-18)19(2)32-28(74-50)10-22-20-9-24(54)23-11-27(25(55)12-49(23,4)21(20)6-7-48(22,32)3)67-45-40(64)37(61)41(31(15-53)70-45)71-47-43(73-46-39(63)36(60)34(58)29(13-51)68-46)42(35(59)30(14-52)69-47)72-44-38(62)33(57)26(56)17-65-44/h18-47,51-64H,5-17H2,1-4H3/t18-,19-,20?,21?,22?,23?,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+/m1/s1 |
| InChIKey | REIZDYUGEPBIJP-VMCKMHHPSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |