![PESCAPROSIDE_A;(11-S)-HYDROXYHEXADECANOATE_11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-[2-O-N-DODECANOYL]-ALPHA-L-RHAM](/api/spectrum/IUy9VOaABXa/structure.png?h=300&w=458 "PESCAPROSIDE_A;(11-S)-HYDROXYHEXADECANOATE_11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-[2-O-N-DODECANOYL]-ALPHA-L-RHAM")
| SpectraBase Compound ID | LR0B3bHItF7 |
|---|---|
| InChI | InChI=1S/C59H106O24/c1-9-11-13-14-15-16-19-23-27-31-39(61)79-54-53(83-56-48(70)44(66)41(63)33(4)74-56)51(81-55-47(69)43(65)40(62)32(3)73-55)36(7)77-59(54)80-50-35(6)76-57(49(71)46(50)68)82-52-45(67)42(64)34(5)75-58(52)78-37(28-24-12-10-2)29-25-21-18-17-20-22-26-30-38(60)72-8/h32-37,40-59,62-71H,9-31H2,1-8H3/t32-,33+,34+,35-,36-,37-,40-,41+,42-,43+,44-,45-,46-,47+,48-,49+,50-,51-,52+,53+,54+,55-,56+,57-,58-,59-/m0/s1 |
| InChIKey | MHVINGJQHVKKSE-INVULOHDSA-N |
| Mol Weight | 1199.5 g/mol |
| Molecular Formula | C59H106O24 |
| Exact Mass | 1198.707404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUy9VOaABXa |
|---|---|
| Name | PESCAPROSIDE_A;(11-S)-HYDROXYHEXADECANOATE_11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-[2-O-N-DODECANOYL]-ALPHA-L-RHAM |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H106O24 |
| InChI | InChI=1S/C59H106O24/c1-9-11-13-14-15-16-19-23-27-31-39(61)79-54-53(83-56-48(70)44(66)41(63)33(4)74-56)51(81-55-47(69)43(65)40(62)32(3)73-55)36(7)77-59(54)80-50-35(6)76-57(49(71)46(50)68)82-52-45(67)42(64)34(5)75-58(52)78-37(28-24-12-10-2)29-25-21-18-17-20-22-26-30-38(60)72-8/h32-37,40-59,62-71H,9-31H2,1-8H3/t32-,33+,34+,35-,36-,37-,40-,41+,42-,43+,44-,45-,46-,47+,48-,49+,50-,51-,52+,53+,54+,55-,56+,57-,58-,59-/m0/s1 |
| InChIKey | MHVINGJQHVKKSE-INVULOHDSA-N |
| Literature Reference Author | R.PEREDA-MIRANDA,E.ESCALANTE-SANCHEZ,C.ESCOBEDO-MARTINEZ |
| Literature Reference Citation | J.NAT.PROD.,68,226(2005) |
| Literature Reference DOI | 10.1021/np0496340 |
| Molecular Weight | 1199.476 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9030 |