| SpectraBase Compound ID | IRoW2NrNEbi |
|---|---|
| InChI | InChI=1S/C57H86O25/c1-23-10-13-57(73-21-23)24(2)38-33(82-57)15-28-26-14-30(61)29-16-32(31(62)17-56(29,4)27(26)11-12-55(28,38)3)75-52-46(70)43(67)47(36(20-60)78-52)79-54-49(81-53-45(69)42(66)39(63)34(18-58)76-53)48(41(65)35(19-59)77-54)80-51-44(68)40(64)37(22-72-51)74-50(71)25-8-6-5-7-9-25/h5-9,23-24,26-49,51-54,58-70H,10-22H2,1-4H3/t23-,24-,26?,27?,28?,29?,30+,31+,32+,33?,34+,35+,36+,37+,38?,39+,40-,41+,42-,43+,44+,45+,46+,47-,48-,49+,51-,52+,53-,54-,55-,56+,57+/m1/s1 |
| InChIKey | AYCHQBWMWFEPIH-HZHLUJAKSA-N |
| Mol Weight | 1171.3 g/mol |
| Molecular Formula | C57H86O25 |
| Exact Mass | 1170.545818 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9iR3cyINODJ |
|---|---|
| Name | 25S-5alpha-SPIROSTAN-2alpha,3beta,6beta-TRIOL 3-O-beta-D-GLUCOPYRANOSYL-(1-2)-O-(4-O-BENZOYL-beta-D-XYLOPYRANOSYL-(1-3))-O-beta-D-GLUCOPYRANOSYL-(1-4)-beta-D-GALACTOPYRANOSIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C57H86O25 |
| InChI | InChI=1S/C57H86O25/c1-23-10-13-57(73-21-23)24(2)38-33(82-57)15-28-26-14-30(61)29-16-32(31(62)17-56(29,4)27(26)11-12-55(28,38)3)75-52-46(70)43(67)47(36(20-60)78-52)79-54-49(81-53-45(69)42(66)39(63)34(18-58)76-53)48(41(65)35(19-59)77-54)80-51-44(68)40(64)37(22-72-51)74-50(71)25-8-6-5-7-9-25/h5-9,23-24,26-49,51-54,58-70H,10-22H2,1-4H3/t23-,24-,26?,27?,28?,29?,30+,31+,32+,33?,34+,35+,36+,37+,38?,39+,40-,41+,42-,43+,44+,45+,46+,47-,48-,49+,51-,52+,53-,54-,55-,56+,57+/m1/s1 |
| InChIKey | AYCHQBWMWFEPIH-HZHLUJAKSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |