![#4;(25S)-27-[(BETA-D-GLUCOPYRANOSYL)-OXY]-17-ALPHA,27-DIHYDROXY-SPIROST-5-EN-3-BETA-YL-O-ALPHA-D-GLUCOPYRANOSYL-(1->6)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-](/api/spectrum/HMPrUBVOSXF/structure.png?h=300&w=458 "#4;(25S)-27-[(BETA-D-GLUCOPYRANOSYL)-OXY]-17-ALPHA,27-DIHYDROXY-SPIROST-5-EN-3-BETA-YL-O-ALPHA-D-GLUCOPYRANOSYL-(1->6)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-")
| SpectraBase Compound ID | 3B1PZbcMNEB |
|---|---|
| InChI | InChI=1S/C51H82O24/c1-20-32(54)36(58)42(64)46(69-20)74-43-39(61)35(57)30(19-67-45-41(63)38(60)34(56)29(16-53)72-45)73-47(43)70-24-8-10-48(3)23(13-24)5-6-25-26(48)9-11-49(4)27(25)14-31-51(49,65)21(2)50(75-31)12-7-22(18-68-50)17-66-44-40(62)37(59)33(55)28(15-52)71-44/h5,20-22,24-47,52-65H,6-19H2,1-4H3/t20-,21+,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+/m0/s1 |
| InChIKey | UBJPAWDQEQPAFQ-FYMSKIFFSA-N |
| Mol Weight | 1079.2 g/mol |
| Molecular Formula | C51H82O24 |
| Exact Mass | 1078.519603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HMPrUBVOSXF |
|---|---|
| Name | #4;(25S)-27-[(BETA-D-GLUCOPYRANOSYL)-OXY]-17-ALPHA,27-DIHYDROXY-SPIROST-5-EN-3-BETA-YL-O-ALPHA-D-GLUCOPYRANOSYL-(1->6)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82O24 |
| InChI | InChI=1S/C51H82O24/c1-20-32(54)36(58)42(64)46(69-20)74-43-39(61)35(57)30(19-67-45-41(63)38(60)34(56)29(16-53)72-45)73-47(43)70-24-8-10-48(3)23(13-24)5-6-25-26(48)9-11-49(4)27(25)14-31-51(49,65)21(2)50(75-31)12-7-22(18-68-50)17-66-44-40(62)37(59)33(55)28(15-52)71-44/h5,20-22,24-47,52-65H,6-19H2,1-4H3/t20-,21+,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+/m0/s1 |
| InChIKey | UBJPAWDQEQPAFQ-FYMSKIFFSA-N |
| Literature Reference Author | A.YOKOSUKA,Y.MIMAKI |
| Literature Reference Citation | PHYTOCHEM.,69,2724(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.08.004 |
| Molecular Weight | 1079.198 g/mol |
| Sample ID | 63151 |
| Solvent | C5D5N |