![#3;(25S)-27-[(BETA-D-GLUCOPYRANOSYL)-OXY]-17-ALPHA,27-DIHYDROXY-SPIROST-5-EN-3-BETA-YL-O-[(4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/EtqOFbV9Mnj/structure.png?h=300&w=458 "#3;(25S)-27-[(BETA-D-GLUCOPYRANOSYL)-OXY]-17-ALPHA,27-DIHYDROXY-SPIROST-5-EN-3-BETA-YL-O-[(4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | F1TOY2myKI9 |
|---|---|
| InChI | InChI=1S/C47H74O20/c1-20-39(62-22(3)50)36(55)38(57)42(61-20)66-40-35(54)33(52)30(17-49)65-43(40)63-25-9-11-44(4)24(14-25)6-7-26-27(44)10-12-45(5)28(26)15-31-47(45,58)21(2)46(67-31)13-8-23(19-60-46)18-59-41-37(56)34(53)32(51)29(16-48)64-41/h6,20-21,23,25-43,48-49,51-58H,7-19H2,1-5H3/t20-,21+,23-,25-,26+,27-,28-,29-,30+,31-,32-,33+,34+,35-,36-,37-,38+,39-,40+,41-,42-,43+,44-,45-,46+,47+/m0/s1 |
| InChIKey | OPOFYHQOGUVQQC-XAWOSMBASA-N |
| Mol Weight | 959.1 g/mol |
| Molecular Formula | C47H74O20 |
| Exact Mass | 958.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EtqOFbV9Mnj |
|---|---|
| Name | #3;(25S)-27-[(BETA-D-GLUCOPYRANOSYL)-OXY]-17-ALPHA,27-DIHYDROXY-SPIROST-5-EN-3-BETA-YL-O-[(4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O20 |
| InChI | InChI=1S/C47H74O20/c1-20-39(62-22(3)50)36(55)38(57)42(61-20)66-40-35(54)33(52)30(17-49)65-43(40)63-25-9-11-44(4)24(14-25)6-7-26-27(44)10-12-45(5)28(26)15-31-47(45,58)21(2)46(67-31)13-8-23(19-60-46)18-59-41-37(56)34(53)32(51)29(16-48)64-41/h6,20-21,23,25-43,48-49,51-58H,7-19H2,1-5H3/t20-,21+,23-,25-,26+,27-,28-,29-,30+,31-,32-,33+,34+,35-,36-,37-,38+,39-,40+,41-,42-,43+,44-,45-,46+,47+/m0/s1 |
| InChIKey | OPOFYHQOGUVQQC-XAWOSMBASA-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 | 959.093 g/mol |
| Sample ID | 63150 |
| Solvent | C5D5N |