![#3;BATATOSIDE-V;(S)-JALAPINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[(2-O-(TRANS)-CINNAMOYL)-(4-O-N-DECANOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-[2-O-N-D](/api/spectrum/DQQbXe4Ydqf/structure.png?h=300&w=458 "#3;BATATOSIDE-V;(S)-JALAPINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[(2-O-(TRANS)-CINNAMOYL)-(4-O-N-DECANOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-[2-O-N-D")
| SpectraBase Compound ID | 5pQokBtFOXL |
|---|---|
| InChI | InChI=1S/C77H126O25/c1-9-12-15-17-19-20-24-28-37-44-56(80)98-72-71(102-73-62(86)60(84)58(82)47(4)89-73)67(100-75-69(97-57(81)46-45-52-38-32-30-33-39-52)63(87)65(49(6)91-75)95-54(78)42-35-27-22-18-16-13-10-2)51(8)93-77(72)99-66-50(7)92-76-70(64(66)88)96-55(79)43-36-29-25-21-23-26-34-41-53(40-31-14-11-3)94-74-68(101-76)61(85)59(83)48(5)90-74/h30,32-33,38-39,45-51,53,58-77,82-88H,9-29,31,34-37,40-44H2,1-8H3/b46-45+/t47-,48+,49-,50-,51-,53-,58-,59-,60+,61-,62+,63+,64+,65-,66-,67-,68+,69+,70+,71+,72+,73-,74-,75-,76-,77-/m0/s1 |
| InChIKey | IQHNLTKUDBCNJA-VAMNSEPSSA-N |
| Mol Weight | 1451.8 g/mol |
| Molecular Formula | C77H126O25 |
| Exact Mass | 1450.85882 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 | DQQbXe4Ydqf |
|---|---|
| Name | #3;BATATOSIDE-V;(S)-JALAPINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[(2-O-(TRANS)-CINNAMOYL)-(4-O-N-DECANOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-[2-O-N-D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C77H126O25 |
| InChI | InChI=1S/C77H126O25/c1-9-12-15-17-19-20-24-28-37-44-56(80)98-72-71(102-73-62(86)60(84)58(82)47(4)89-73)67(100-75-69(97-57(81)46-45-52-38-32-30-33-39-52)63(87)65(49(6)91-75)95-54(78)42-35-27-22-18-16-13-10-2)51(8)93-77(72)99-66-50(7)92-76-70(64(66)88)96-55(79)43-36-29-25-21-23-26-34-41-53(40-31-14-11-3)94-74-68(101-76)61(85)59(83)48(5)90-74/h30,32-33,38-39,45-51,53,58-77,82-88H,9-29,31,34-37,40-44H2,1-8H3/b46-45+/t47-,48+,49-,50-,51-,53-,58-,59-,60+,61-,62+,63+,64+,65-,66-,67-,68+,69+,70+,71+,72+,73-,74-,75-,76-,77-/m0/s1 |
| InChIKey | IQHNLTKUDBCNJA-VAMNSEPSSA-N |
| Literature Reference Author | Y.Q.YIN,X.F.HUANG,L.Y.KONG,M.NIWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,1670(2008) |
| Literature Reference DOI | 10.1248/cpb.56.1670 |
| Molecular Weight | 1451.832 g/mol |
| Sample ID | 2466 |
| Solvent | C5D5N |