| SpectraBase Compound ID | 3eQ6rK48L9G |
|---|---|
| InChI | InChI=1S/C56H90O28/c1-21-6-9-56(75-19-21)22(2)37-30(84-56)11-25-23-10-27(60)26-12-29(28(61)13-55(26,5)24(23)7-8-54(25,37)4)77-50-45(72)42(69)46(33(18-59)80-50)81-52-48(83-51-44(71)41(68)38(65)31(16-57)78-51)47(40(67)32(17-58)79-52)82-49-43(70)39(66)34(20-74-49)76-36(64)15-53(3,73)14-35(62)63/h21-34,37-52,57-61,65-73H,6-20H2,1-5H3,(H,62,63)/t21-,22-,23?,24?,25?,26?,27+,28+,29+,30?,31+,32+,33+,34+,37?,38+,39-,40+,41-,42+,43+,44+,45+,46-,47-,48+,49-,50+,51-,52-,53-,54-,55+,56+/m1/s1 |
| InChIKey | ALSGGXFFRDJSPT-SANSXSAGSA-N |
| Mol Weight | 1211.3 g/mol |
| Molecular Formula | C56H90O28 |
| Exact Mass | 1210.561862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBNAQzcdFLa |
|---|---|
| Name | 25S-5alpha-SPIROSTAN-2alpha,3beta,6beta-TRIOL 3-O-beta-D-GLUCOPYRANOSYL-(1-2)-O-(4-O-(3S)-3-HYDROXY-3-METHYLGLUTAROYL-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 | C56H90O28 |
| InChI | InChI=1S/C56H90O28/c1-21-6-9-56(75-19-21)22(2)37-30(84-56)11-25-23-10-27(60)26-12-29(28(61)13-55(26,5)24(23)7-8-54(25,37)4)77-50-45(72)42(69)46(33(18-59)80-50)81-52-48(83-51-44(71)41(68)38(65)31(16-57)78-51)47(40(67)32(17-58)79-52)82-49-43(70)39(66)34(20-74-49)76-36(64)15-53(3,73)14-35(62)63/h21-34,37-52,57-61,65-73H,6-20H2,1-5H3,(H,62,63)/t21-,22-,23?,24?,25?,26?,27+,28+,29+,30?,31+,32+,33+,34+,37?,38+,39-,40+,41-,42+,43+,44+,45+,46-,47-,48+,49-,50+,51-,52-,53-,54-,55+,56+/m1/s1 |
| InChIKey | ALSGGXFFRDJSPT-SANSXSAGSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |