![#7;(25R)-2-O-[(S)-3-HYDROXY-3-METHYLGLUTAROYL]-5-ALPHA-SPIROSTANE-2-ALPHA,3-BETA,6-BETA-TRIOL-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3](/api/spectrum/IfQo03jupxE/structure.png?h=300&w=458 "#7;(25R)-2-O-[(S)-3-HYDROXY-3-METHYLGLUTAROYL]-5-ALPHA-SPIROSTANE-2-ALPHA,3-BETA,6-BETA-TRIOL-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3")
| SpectraBase Compound ID | whjfJwFnVn |
|---|---|
| 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(31(76-36(64)15-53(3,73)14-35(62)63)13-55(26,5)24(23)7-8-54(25,37)4)77-50-45(72)42(69)46(34(18-59)80-50)81-52-48(83-51-44(71)41(68)39(66)32(16-57)78-51)47(40(67)33(17-58)79-52)82-49-43(70)38(65)28(61)20-74-49/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 | LGXZXQZGYNFPSQ-UQUFAZCSSA-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 | IfQo03jupxE |
|---|---|
| Name | #7;(25R)-2-O-[(S)-3-HYDROXY-3-METHYLGLUTAROYL]-5-ALPHA-SPIROSTANE-2-ALPHA,3-BETA,6-BETA-TRIOL-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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(31(76-36(64)15-53(3,73)14-35(62)63)13-55(26,5)24(23)7-8-54(25,37)4)77-50-45(72)42(69)46(34(18-59)80-50)81-52-48(83-51-44(71)41(68)39(66)32(16-57)78-51)47(40(67)33(17-58)79-52)82-49-43(70)38(65)28(61)20-74-49/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 | LGXZXQZGYNFPSQ-UQUFAZCSSA-N |
| Literature Reference Author | Y.MIMAKI,K.KAWASHIMA,T.KANMOTO,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,34,799(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85362-U |
| Molecular Weight | 1211.314 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6685 |