![#2;CALYSOLIN-XI;11S-JALAPINOLIC-ACID-11-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-(2-O-TIGLOYL)-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[2-O-(2S)-METHYLBUTYRYL,4-O-TIGLOYL]-ALPH](/api/spectrum/BJ77060qI1C/structure.png?h=300&w=458 "#2;CALYSOLIN-XI;11S-JALAPINOLIC-ACID-11-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-(2-O-TIGLOYL)-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[2-O-(2S)-METHYLBUTYRYL,4-O-TIGLOYL]-ALPH")
| SpectraBase Compound ID | 7VOhiRuNoW7 |
|---|---|
| InChI | InChI=1S/C67H110O33/c1-10-14-20-23-35-24-21-18-16-15-17-19-22-25-40(72)92-53-47(79)43(75)37(27-69)89-64(53)97-52-44(76)38(28-70)90-67(98-54-46(78)41(73)33(8)85-63(54)87-35)57(52)100-66-58(95-61(84)32(7)13-4)56(50(34(9)86-66)93-59(82)30(5)11-2)99-65-55(94-60(83)31(6)12-3)49(81)51(39(29-71)91-65)96-62-48(80)45(77)42(74)36(26-68)88-62/h11-12,32-39,41-58,62-71,73-81H,10,13-29H2,1-9H3/b30-11+,31-12+/t32-,33-,34+,35+,36+,37-,38+,39-,41-,42+,43-,44+,45-,46+,47+,48+,49+,50+,51-,52-,53-,54-,55-,56-,57+,58-,62-,63+,64+,65+,66+,67-/m0/s1 |
| InChIKey | BNCYVWLMJXZHSE-IPUHCRCISA-N |
| Mol Weight | 1443.6 g/mol |
| Molecular Formula | C67H110O33 |
| Exact Mass | 1442.692936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BJ77060qI1C |
|---|---|
| Name | #2;CALYSOLIN-XI;11S-JALAPINOLIC-ACID-11-O-BETA-D-GLUCOPYRANOSYL-(1->4)-O-(2-O-TIGLOYL)-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[2-O-(2S)-METHYLBUTYRYL,4-O-TIGLOYL]-ALPH |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H110O33 |
| InChI | InChI=1S/C67H110O33/c1-10-14-20-23-35-24-21-18-16-15-17-19-22-25-40(72)92-53-47(79)43(75)37(27-69)89-64(53)97-52-44(76)38(28-70)90-67(98-54-46(78)41(73)33(8)85-63(54)87-35)57(52)100-66-58(95-61(84)32(7)13-4)56(50(34(9)86-66)93-59(82)30(5)11-2)99-65-55(94-60(83)31(6)12-3)49(81)51(39(29-71)91-65)96-62-48(80)45(77)42(74)36(26-68)88-62/h11-12,32-39,41-58,62-71,73-81H,10,13-29H2,1-9H3/b30-11+,31-12+/t32-,33-,34+,35+,36+,37-,38+,39-,41-,42+,43-,44+,45-,46+,47+,48+,49+,50+,51-,52-,53-,54-,55-,56-,57+,58-,62-,63+,64+,65+,66+,67-/m0/s1 |
| InChIKey | BNCYVWLMJXZHSE-IPUHCRCISA-N |
| Literature Reference Author | M.ONO,G.KAWAKAMI,A.TAKIGAWA,K.KABATA,M.OKAWA,J.KINJO,K.YOKOM IZO,H.YOSHIMITSU |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,839(2014) |
| Literature Reference DOI | 10.1248/cpb.c14-00356 |
| Molecular Weight | 1443.591 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT13931 |