![#2;CALYSOLIN-VI;(11S)-JALAPINOLIC-ACID-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[2-O-(2S)-METHYLBUTYRYL,4-O-TIGLOYL]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-[2-O-(2S)-MET](/api/spectrum/1ZUfmeYfgn9/structure.png?h=300&w=458 "#2;CALYSOLIN-VI;(11S)-JALAPINOLIC-ACID-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[2-O-(2S)-METHYLBUTYRYL,4-O-TIGLOYL]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-[2-O-(2S)-MET")
| SpectraBase Compound ID | 9I2GqKNBnJN |
|---|---|
| InChI | InChI=1S/C61H102O28/c1-10-14-20-23-34-24-21-18-16-15-17-19-22-25-38(65)82-51-47(84-55(74)30(6)12-3)41(68)36(27-63)80-60(51)86-48-42(69)37(28-64)81-61(87-49-44(71)39(66)32(8)76-58(49)78-34)52(48)89-59-53(85-56(75)31(7)13-4)50(46(33(9)77-59)83-54(73)29(5)11-2)88-57-45(72)43(70)40(67)35(26-62)79-57/h11,30-37,39-53,57-64,66-72H,10,12-28H2,1-9H3/b29-11+/t30-,31-,32-,33+,34-,35-,36-,37+,39-,40-,41-,42+,43+,44+,45-,46+,47+,48-,49-,50-,51-,52+,53-,57+,58+,59+,60+,61-/m0/s1 |
| InChIKey | KUNJJKSSGLQNAV-SYXIRNLASA-N |
| Mol Weight | 1283.5 g/mol |
| Molecular Formula | C61H102O28 |
| Exact Mass | 1282.655763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZUfmeYfgn9 |
|---|---|
| Name | #2;CALYSOLIN-VI;(11S)-JALAPINOLIC-ACID-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[2-O-(2S)-METHYLBUTYRYL,4-O-TIGLOYL]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-[2-O-(2S)-MET |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H102O28 |
| InChI | InChI=1S/C61H102O28/c1-10-14-20-23-34-24-21-18-16-15-17-19-22-25-38(65)82-51-47(84-55(74)30(6)12-3)41(68)36(27-63)80-60(51)86-48-42(69)37(28-64)81-61(87-49-44(71)39(66)32(8)76-58(49)78-34)52(48)89-59-53(85-56(75)31(7)13-4)50(46(33(9)77-59)83-54(73)29(5)11-2)88-57-45(72)43(70)40(67)35(26-62)79-57/h11,30-37,39-53,57-64,66-72H,10,12-28H2,1-9H3/b29-11+/t30-,31-,32-,33+,34-,35-,36-,37+,39-,40-,41-,42+,43+,44+,45-,46+,47+,48-,49-,50-,51-,52+,53-,57+,58+,59+,60+,61-/m0/s1 |
| InChIKey | KUNJJKSSGLQNAV-SYXIRNLASA-N |
| Literature Reference Author | M.ONO,A.TAKIGAWA,Y.KANEMARU,G.KAWAKAMI,K.KABATA,M.OKAWA,J.KI NJO,K.YOKOMIZO |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,97(2014) |
| Literature Reference DOI | 10.1248/cpb.c13-00610 |
| Molecular Weight | 1283.464 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT14007 |