![#2;PESCAPREIN_XI;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[2-O-(TRANS-CINNAMOYL)-4-O-(2S-METHYLBUTANOYL)-ALPHA-L-RHAMNOPYRANOSYL]](/api/spectrum/69cDkFKGFBE/structure.png?h=300&w=458 "#2;PESCAPREIN_XI;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[2-O-(TRANS-CINNAMOYL)-4-O-(2S-METHYLBUTANOYL)-ALPHA-L-RHAMNOPYRANOSYL]")
| SpectraBase Compound ID | 60Q0I1caLQk |
|---|---|
| InChI | InChI=1S/C70H112O25/c1-10-13-15-16-18-22-30-36-48(72)90-64-63(95-66-54(78)52(76)50(74)40(5)82-66)59(93-68-61(89-49(73)38-37-45-31-26-24-27-32-45)55(79)57(42(7)84-68)91-65(81)39(4)12-3)44(9)86-70(64)92-58-43(8)85-69-62(56(58)80)88-47(71)35-29-23-20-17-19-21-28-34-46(33-25-14-11-2)87-67-60(94-69)53(77)51(75)41(6)83-67/h24,26-27,31-32,37-44,46,50-64,66-70,74-80H,10-23,25,28-30,33-36H2,1-9H3/b38-37+/t39?,40-,41-,42-,43-,44-,46-,50-,51-,52+,53-,54+,55+,56+,57-,58-,59-,60+,61+,62+,63+,64+,66-,67-,68-,69-,70-/m0/s1 |
| InChIKey | HHEWFFWPUSDIJT-YPYMVYILSA-N |
| Mol Weight | 1353.6 g/mol |
| Molecular Formula | C70H112O25 |
| Exact Mass | 1352.749269 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69cDkFKGFBE |
|---|---|
| Name | #2;PESCAPREIN_XI;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[2-O-(TRANS-CINNAMOYL)-4-O-(2S-METHYLBUTANOYL)-ALPHA-L-RHAMNOPYRANOSYL] |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H112O25 |
| InChI | InChI=1S/C70H112O25/c1-10-13-15-16-18-22-30-36-48(72)90-64-63(95-66-54(78)52(76)50(74)40(5)82-66)59(93-68-61(89-49(73)38-37-45-31-26-24-27-32-45)55(79)57(42(7)84-68)91-65(81)39(4)12-3)44(9)86-70(64)92-58-43(8)85-69-62(56(58)80)88-47(71)35-29-23-20-17-19-21-28-34-46(33-25-14-11-2)87-67-60(94-69)53(77)51(75)41(6)83-67/h24,26-27,31-32,37-44,46,50-64,66-70,74-80H,10-23,25,28-30,33-36H2,1-9H3/b38-37+/t39?,40-,41-,42-,43-,44-,46-,50-,51-,52+,53-,54+,55+,56+,57-,58-,59-,60+,61+,62+,63+,64+,66-,67-,68-,69-,70-/m0/s1 |
| InChIKey | HHEWFFWPUSDIJT-YPYMVYILSA-N |
| Literature Reference Author | H.TAO,X.HAO,J.LIU,J.DING,Q.GU,W.ZHU |
| Literature Reference Citation | J.NAT.PROD.,71,1998(2008) |
| Literature Reference DOI | 10.1021/np800386z |
| Molecular Weight | 1353.644 g/mol |
| Sample ID | 29419 |
| Solvent | C5D5N |