![#4;CAIRICOSIDE-IV;(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/3NqRWwtYnoo/structure.png?h=300&w=458 "#4;CAIRICOSIDE-IV;(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 | 2T2slPnOuTA |
|---|---|
| InChI | InChI=1S/C70H112O26/c1-9-12-14-15-17-21-29-35-48(73)91-64-63(96-66-54(79)52(77)50(75)40(5)83-66)59(94-67-56(81)60(58(42(7)84-67)92-65(82)39(4)11-3)89-49(74)37-36-44-30-25-23-26-31-44)43(8)86-70(64)93-57-41(6)85-68-62(55(57)80)90-47(72)34-28-22-19-16-18-20-27-33-45(32-24-13-10-2)87-69-61(95-68)53(78)51(76)46(38-71)88-69/h23,25-26,30-31,36-37,39-43,45-46,50-64,66-71,75-81H,9-22,24,27-29,32-35,38H2,1-8H3/b37-36+/t39-,40-,41-,42-,43-,45-,46+,50-,51+,52+,53-,54+,55+,56+,57-,58-,59-,60-,61+,62+,63+,64+,66-,67-,68-,69+,70-/m0/s1 |
| InChIKey | IIDWSZMXHLZWOT-FOFOWZNSSA-N |
| Mol Weight | 1369.6 g/mol |
| Molecular Formula | C70H112O26 |
| Exact Mass | 1368.744184 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3NqRWwtYnoo |
|---|---|
| Name | #4;CAIRICOSIDE-IV;(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 | C70H112O26 |
| InChI | InChI=1S/C70H112O26/c1-9-12-14-15-17-21-29-35-48(73)91-64-63(96-66-54(79)52(77)50(75)40(5)83-66)59(94-67-56(81)60(58(42(7)84-67)92-65(82)39(4)11-3)89-49(74)37-36-44-30-25-23-26-31-44)43(8)86-70(64)93-57-41(6)85-68-62(55(57)80)90-47(72)34-28-22-19-16-18-20-27-33-45(32-24-13-10-2)87-69-61(95-68)53(78)51(76)46(38-71)88-69/h23,25-26,30-31,36-37,39-43,45-46,50-64,66-71,75-81H,9-22,24,27-29,32-35,38H2,1-8H3/b37-36+/t39-,40-,41-,42-,43-,45-,46+,50-,51+,52+,53-,54+,55+,56+,57-,58-,59-,60-,61+,62+,63+,64+,66-,67-,68-,69+,70-/m0/s1 |
| InChIKey | IIDWSZMXHLZWOT-FOFOWZNSSA-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 | 1369.644 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA3094 |