![OPERCULINIC_ACID_A_METHYLESTER;(11-S)-JALAPINOLIC_ACID_11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-ALPHA-L-RHAMNOPYRA](/api/spectrum/5TsUJB1V6nJ/structure.png?h=300&w=458 "OPERCULINIC_ACID_A_METHYLESTER;(11-S)-JALAPINOLIC_ACID_11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-ALPHA-L-RHAMNOPYRA")
| SpectraBase Compound ID | LE3UmY1cg56 |
|---|---|
| InChI | InChI=1S/C71H108O36/c1-19-20-26-29-49(30-27-24-22-21-23-25-28-31-51(84)85-18)102-67-66(58(95-42(11)77)53(33(2)87-67)92-39(8)74)107-70-63(99-46(15)81)59(96-43(12)78)54(35(4)90-70)104-69-64(100-47(16)82)60(106-71-65(101-48(17)83)61(97-44(13)79)56(93-40(9)75)50(103-71)32-86-37(6)72)55(36(5)89-69)105-68-62(98-45(14)80)57(94-41(10)76)52(34(3)88-68)91-38(7)73/h33-36,49-50,52-71H,19-32H2,1-18H3/t33-,34+,35+,36+,49-,50-,52+,53+,54+,55+,56-,57-,58+,59-,60-,61+,62-,63-,64+,65-,66-,67+,68+,69+,70+,71-/m0/s1 |
| InChIKey | FRCAMASACQFLFN-AKWMWHSKSA-N |
| Mol Weight | 1537.6 g/mol |
| Molecular Formula | C71H108O36 |
| Exact Mass | 1536.66203 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5TsUJB1V6nJ |
|---|---|
| Name | OPERCULINIC_ACID_A_METHYLESTER;(11-S)-JALAPINOLIC_ACID_11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-ALPHA-L-RHAMNOPYRA |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H108O36 |
| InChI | InChI=1S/C71H108O36/c1-19-20-26-29-49(30-27-24-22-21-23-25-28-31-51(84)85-18)102-67-66(58(95-42(11)77)53(33(2)87-67)92-39(8)74)107-70-63(99-46(15)81)59(96-43(12)78)54(35(4)90-70)104-69-64(100-47(16)82)60(106-71-65(101-48(17)83)61(97-44(13)79)56(93-40(9)75)50(103-71)32-86-37(6)72)55(36(5)89-69)105-68-62(98-45(14)80)57(94-41(10)76)52(34(3)88-68)91-38(7)73/h33-36,49-50,52-71H,19-32H2,1-18H3/t33-,34+,35+,36+,49-,50-,52+,53+,54+,55+,56-,57-,58+,59-,60-,61+,62-,63-,64+,65-,66-,67+,68+,69+,70+,71-/m0/s1 |
| InChIKey | FRCAMASACQFLFN-AKWMWHSKSA-N |
| Literature Reference Author | L.CHERIGO,R.PEREDA-MIRANDA |
| Literature Reference Citation | J.NAT.PROD.,69,595(2006) |
| Literature Reference DOI | 10.1021/np0504457 |
| Molecular Weight | 1537.617 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ18213 |