![MULTIFIDIN-II;(11S)-CONVOLVULINOLIC-ACID-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[4-O-(2S)-2-METHYLBUTYRYL-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-(2](/api/spectrum/CV7EQBoelVF/structure.png?h=300&w=458 "MULTIFIDIN-II;(11S)-CONVOLVULINOLIC-ACID-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[4-O-(2S)-2-METHYLBUTYRYL-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-(2")
| SpectraBase Compound ID | 5Gy6Gtj7Fpd |
|---|---|
| InChI | InChI=1S/C61H106O25/c1-9-12-13-14-15-16-19-22-26-30-40(64)81-55-54(86-58-46(70)43(67)42(66)38(31-62)79-58)51(84-57-47(71)45(69)49(34(6)75-57)82-56(73)32(4)11-3)36(8)77-61(55)83-50-35(7)76-60-53(48(50)72)80-39(63)29-25-23-20-17-18-21-24-28-37(27-10-2)78-59-52(85-60)44(68)41(65)33(5)74-59/h32-38,41-55,57-62,65-72H,9-31H2,1-8H3/t32-,33+,34-,35-,36-,37-,38+,41+,42+,43-,44-,45-,46+,47+,48-,49-,50-,51-,52+,53+,54+,55+,57-,58-,59-,60-,61-/m0/s1 |
| InChIKey | IIJCXEQLISCMRO-PYHUWDPRSA-N |
| Mol Weight | 1239.5 g/mol |
| Molecular Formula | C61H106O25 |
| Exact Mass | 1238.702319 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CV7EQBoelVF |
|---|---|
| Name | MULTIFIDIN-II;(11S)-CONVOLVULINOLIC-ACID-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[4-O-(2S)-2-METHYLBUTYRYL-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-(2 |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H106O25 |
| InChI | InChI=1S/C61H106O25/c1-9-12-13-14-15-16-19-22-26-30-40(64)81-55-54(86-58-46(70)43(67)42(66)38(31-62)79-58)51(84-57-47(71)45(69)49(34(6)75-57)82-56(73)32(4)11-3)36(8)77-61(55)83-50-35(7)76-60-53(48(50)72)80-39(63)29-25-23-20-17-18-21-24-28-37(27-10-2)78-59-52(85-60)44(68)41(65)33(5)74-59/h32-38,41-55,57-62,65-72H,9-31H2,1-8H3/t32-,33+,34-,35-,36-,37-,38+,41+,42+,43-,44-,45-,46+,47+,48-,49-,50-,51-,52+,53+,54+,55+,57-,58-,59-,60-,61-/m0/s1 |
| InChIKey | IIJCXEQLISCMRO-PYHUWDPRSA-N |
| Literature Reference Author | M.ONO,F.HONDA,A.KARAHASHI,T.KAWASAKI,K.MIYAHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,1955(1997) |
| Literature Reference DOI | 10.1248/cpb.45.1955 |
| Molecular Weight | 1239.498 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN28931 |