![#6;PESCAPREIN_XV;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[2-O-(TRANS-CINNAMOYL)-4-O-(2-METHYLPROPANOYL)-ALPHA-L-RHAMNOPYRANOSYL]-](/api/spectrum/KbPmsLahRYE/structure.png?h=300&w=458 "#6;PESCAPREIN_XV;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[2-O-(TRANS-CINNAMOYL)-4-O-(2-METHYLPROPANOYL)-ALPHA-L-RHAMNOPYRANOSYL]-")
| SpectraBase Compound ID | 6ikg8ZjtsXr |
|---|---|
| InChI | InChI=1S/C71H114O25/c1-10-12-14-15-16-17-20-23-31-37-49(73)91-65-64(96-67-55(79)53(77)51(75)41(5)83-67)60(94-69-62(90-50(74)39-38-46-32-27-25-28-33-46)56(80)58(43(7)85-69)92-66(82)40(3)4)45(9)87-71(65)93-59-44(8)86-70-63(57(59)81)89-48(72)36-30-24-21-18-19-22-29-35-47(34-26-13-11-2)88-68-61(95-70)54(78)52(76)42(6)84-68/h25,27-28,32-33,38-45,47,51-65,67-71,75-81H,10-24,26,29-31,34-37H2,1-9H3/b39-38+/t41-,42-,43-,44-,45-,47-,51-,52-,53+,54-,55+,56+,57+,58-,59-,60-,61+,62+,63+,64+,65+,67-,68-,69-,70-,71-/m0/s1 |
| InChIKey | JPLCJDUVYGQUEO-CAXRZXRDSA-N |
| Mol Weight | 1367.7 g/mol |
| Molecular Formula | C71H114O25 |
| Exact Mass | 1366.764919 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KbPmsLahRYE |
|---|---|
| Name | #6;PESCAPREIN_XV;(11-S)-O-HEXADECANOIC_ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-4-O-[2-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 | C71H114O25 |
| InChI | InChI=1S/C71H114O25/c1-10-12-14-15-16-17-20-23-31-37-49(73)91-65-64(96-67-55(79)53(77)51(75)41(5)83-67)60(94-69-62(90-50(74)39-38-46-32-27-25-28-33-46)56(80)58(43(7)85-69)92-66(82)40(3)4)45(9)87-71(65)93-59-44(8)86-70-63(57(59)81)89-48(72)36-30-24-21-18-19-22-29-35-47(34-26-13-11-2)88-68-61(95-70)54(78)52(76)42(6)84-68/h25,27-28,32-33,38-45,47,51-65,67-71,75-81H,10-24,26,29-31,34-37H2,1-9H3/b39-38+/t41-,42-,43-,44-,45-,47-,51-,52-,53+,54-,55+,56+,57+,58-,59-,60-,61+,62+,63+,64+,65+,67-,68-,69-,70-,71-/m0/s1 |
| InChIKey | JPLCJDUVYGQUEO-CAXRZXRDSA-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 | 1367.671 g/mol |
| Sample ID | 29421 |
| Solvent | C5D5N |