![#1;CAIRICOSIDE-I;(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-O](/api/spectrum/CGeMxjHcvTk/structure.png?h=300&w=458 "#1;CAIRICOSIDE-I;(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-O")
| SpectraBase Compound ID | 6PvQ7tu9Moj |
|---|---|
| InChI | InChI=1S/C65H102O26/c1-10-13-20-27-40-28-23-17-15-14-16-18-24-29-42(67)85-56-49(74)51(36(7)80-63(56)90-55-47(72)45(70)41(32-66)83-64(55)82-40)88-65-58(87-60(77)34(5)12-3)57(91-61-48(73)46(71)44(69)35(6)78-61)53(38(9)81-65)89-62-50(75)54(52(37(8)79-62)86-59(76)33(4)11-2)84-43(68)31-30-39-25-21-19-22-26-39/h19,21-22,25-26,30-31,33-38,40-41,44-58,61-66,69-75H,10-18,20,23-24,27-29,32H2,1-9H3/b31-30+/t33-,34-,35-,36-,37-,38-,40-,41+,44-,45+,46+,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+,57+,58+,61-,62-,63-,64+,65-/m0/s1 |
| InChIKey | WAENTEWGVZVWHU-ICAVZZLCSA-N |
| Mol Weight | 1299.5 g/mol |
| Molecular Formula | C65H102O26 |
| Exact Mass | 1298.665933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CGeMxjHcvTk |
|---|---|
| Name | #1;CAIRICOSIDE-I;(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-O |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H102O26 |
| InChI | InChI=1S/C65H102O26/c1-10-13-20-27-40-28-23-17-15-14-16-18-24-29-42(67)85-56-49(74)51(36(7)80-63(56)90-55-47(72)45(70)41(32-66)83-64(55)82-40)88-65-58(87-60(77)34(5)12-3)57(91-61-48(73)46(71)44(69)35(6)78-61)53(38(9)81-65)89-62-50(75)54(52(37(8)79-62)86-59(76)33(4)11-2)84-43(68)31-30-39-25-21-19-22-26-39/h19,21-22,25-26,30-31,33-38,40-41,44-58,61-66,69-75H,10-18,20,23-24,27-29,32H2,1-9H3/b31-30+/t33-,34-,35-,36-,37-,38-,40-,41+,44-,45+,46+,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+,57+,58+,61-,62-,63-,64+,65-/m0/s1 |
| InChIKey | WAENTEWGVZVWHU-ICAVZZLCSA-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 | 1299.509 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA3091 |