![#3;PESCAPREIN_XII;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[3-O-(TRANS-CINNAMOYL)-4-O-(2-METHYLPROPANOYL)-ALPHA-L-RHAMNOPYRANOSYL]-](/api/spectrum/1qriIxtTEAr/structure.png?h=300&w=458 "#3;PESCAPREIN_XII;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[3-O-(TRANS-CINNAMOYL)-4-O-(2-METHYLPROPANOYL)-ALPHA-L-RHAMNOPYRANOSYL]-")
| SpectraBase Compound ID | HQQPFpdZn4M |
|---|---|
| InChI | InChI=1S/C69H110O25/c1-10-12-14-15-17-21-29-35-47(71)89-63-62(94-65-53(77)51(75)49(73)39(5)81-65)58(92-66-55(79)59(57(42(8)83-66)90-64(80)38(3)4)87-48(72)37-36-44-30-25-23-26-31-44)43(9)85-69(63)91-56-41(7)84-68-61(54(56)78)88-46(70)34-28-22-19-16-18-20-27-33-45(32-24-13-11-2)86-67-60(93-68)52(76)50(74)40(6)82-67/h23,25-26,30-31,36-43,45,49-63,65-69,73-79H,10-22,24,27-29,32-35H2,1-9H3/b37-36+/t39-,40-,41-,42-,43-,45-,49-,50-,51+,52-,53+,54+,55+,56-,57-,58-,59-,60+,61+,62+,63+,65-,66-,67-,68-,69-/m0/s1 |
| InChIKey | DQDJVCMDJULJMM-XSZQURJGSA-N |
| Mol Weight | 1339.6 g/mol |
| Molecular Formula | C69H110O25 |
| Exact Mass | 1338.733619 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qriIxtTEAr |
|---|---|
| Name | #3;PESCAPREIN_XII;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[3-O-(TRANS-CINNAMOYL)-4-O-(2-METHYLPROPANOYL)-ALPHA-L-RHAMNOPYRANOSYL]- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H110O25 |
| InChI | InChI=1S/C69H110O25/c1-10-12-14-15-17-21-29-35-47(71)89-63-62(94-65-53(77)51(75)49(73)39(5)81-65)58(92-66-55(79)59(57(42(8)83-66)90-64(80)38(3)4)87-48(72)37-36-44-30-25-23-26-31-44)43(9)85-69(63)91-56-41(7)84-68-61(54(56)78)88-46(70)34-28-22-19-16-18-20-27-33-45(32-24-13-11-2)86-67-60(93-68)52(76)50(74)40(6)82-67/h23,25-26,30-31,36-43,45,49-63,65-69,73-79H,10-22,24,27-29,32-35H2,1-9H3/b37-36+/t39-,40-,41-,42-,43-,45-,49-,50-,51+,52-,53+,54+,55+,56-,57-,58-,59-,60+,61+,62+,63+,65-,66-,67-,68-,69-/m0/s1 |
| InChIKey | DQDJVCMDJULJMM-XSZQURJGSA-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 | 1339.617 g/mol |
| Sample ID | 29416 |
| Solvent | C5D5N |