![#2;CAIRICOSIDE-II;(S)-JALAPINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[3-O-TRANS-CINNAMOYL-4-O-(S)-2-METHYLBUTYRYL-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-[2-](/api/spectrum/GBAZgyYcCEd/structure.png?h=300&w=458 "#2;CAIRICOSIDE-II;(S)-JALAPINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[3-O-TRANS-CINNAMOYL-4-O-(S)-2-METHYLBUTYRYL-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-[2-")
| SpectraBase Compound ID | 8T8kybcJmRE |
|---|---|
| InChI | InChI=1S/C64H100O26/c1-9-12-19-27-39-28-22-16-14-13-15-17-23-29-42(67)84-56-49(74)51(35(6)79-62(56)89-55-47(72)45(70)40(32-65)82-63(55)81-39)87-64-58(85-41(66)24-10-2)57(90-60-48(73)46(71)44(69)34(5)77-60)53(37(8)80-64)88-61-50(75)54(52(36(7)78-61)86-59(76)33(4)11-3)83-43(68)31-30-38-25-20-18-21-26-38/h18,20-21,25-26,30-31,33-37,39-40,44-58,60-65,69-75H,9-17,19,22-24,27-29,32H2,1-8H3/b31-30+/t33-,34-,35-,36-,37-,39-,40+,44-,45+,46+,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+,57+,58+,60-,61-,62-,63+,64-/m0/s1 |
| InChIKey | ZIKRCTYYZOXMGB-UNKHIKKNSA-N |
| Mol Weight | 1285.5 g/mol |
| Molecular Formula | C64H100O26 |
| Exact Mass | 1284.650283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GBAZgyYcCEd |
|---|---|
| Name | #2;CAIRICOSIDE-II;(S)-JALAPINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[3-O-TRANS-CINNAMOYL-4-O-(S)-2-METHYLBUTYRYL-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-[2- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H100O26 |
| InChI | InChI=1S/C64H100O26/c1-9-12-19-27-39-28-22-16-14-13-15-17-23-29-42(67)84-56-49(74)51(35(6)79-62(56)89-55-47(72)45(70)40(32-65)82-63(55)81-39)87-64-58(85-41(66)24-10-2)57(90-60-48(73)46(71)44(69)34(5)77-60)53(37(8)80-64)88-61-50(75)54(52(36(7)78-61)86-59(76)33(4)11-3)83-43(68)31-30-38-25-20-18-21-26-38/h18,20-21,25-26,30-31,33-37,39-40,44-58,60-65,69-75H,9-17,19,22-24,27-29,32H2,1-8H3/b31-30+/t33-,34-,35-,36-,37-,39-,40+,44-,45+,46+,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+,57+,58+,60-,61-,62-,63+,64-/m0/s1 |
| InChIKey | ZIKRCTYYZOXMGB-UNKHIKKNSA-N |
| Literature Reference Author | J.T.PAN,B.W.YU,Y.Q.YIN,J.H.LI,L.WANG,L.B.GUO,Z.B.SHEN |
| Literature Reference Citation | MOLECULES,20,6601(2015) |
| Literature Reference DOI | 10.3390/molecules20046601 |
| Molecular Weight | 1285.482 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA3092 |