![PM-1;METHYL_3-S,11-S-DIHYDROXYTETRADECANOATE_11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[4-O-2-R-METHYL-3-R-O-(2-R-METHYL-3-R-HYDROXYBUTYRYL)-BUTYRYL]](/api/spectrum/H1sLPpKQwVJ/structure.png?h=300&w=458 "PM-1;METHYL_3-S,11-S-DIHYDROXYTETRADECANOATE_11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[4-O-2-R-METHYL-3-R-O-(2-R-METHYL-3-R-HYDROXYBUTYRYL)-BUTYRYL]")
| SpectraBase Compound ID | 9L8VE25RtPP |
|---|---|
| InChI | InChI=1S/C66H114O35/c1-13-20-36(22-19-17-15-16-18-21-35(69)23-39(70)86-12)93-65-55(47(78)43(74)38(95-65)25-87-61-48(79)44(75)40(71)31(8)89-61)101-66-56(46(77)42(73)37(24-67)94-66)100-64-57(97-58(83)26(3)14-2)50(81)52(33(10)92-64)98-63-51(82)54(99-62-49(80)45(76)41(72)32(9)90-62)53(34(11)91-63)96-60(85)28(5)30(7)88-59(84)27(4)29(6)68/h26-38,40-57,61-69,71-82H,13-25H2,1-12H3/t26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-,37+,38+,40+,41-,42+,43+,44-,45+,46-,47-,48-,49-,50+,51+,52-,53-,54-,55+,56+,57+,61-,62+,63-,64-,65+,66-/m0/s1 |
| InChIKey | VFFXKJNDVAZVMQ-JLEZGRPVSA-N |
| Mol Weight | 1467.6 g/mol |
| Molecular Formula | C66H114O35 |
| Exact Mass | 1466.714065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1sLPpKQwVJ |
|---|---|
| Name | PM-1;METHYL_3-S,11-S-DIHYDROXYTETRADECANOATE_11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[4-O-2-R-METHYL-3-R-O-(2-R-METHYL-3-R-HYDROXYBUTYRYL)-BUTYRYL] |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H114O35 |
| InChI | InChI=1S/C66H114O35/c1-13-20-36(22-19-17-15-16-18-21-35(69)23-39(70)86-12)93-65-55(47(78)43(74)38(95-65)25-87-61-48(79)44(75)40(71)31(8)89-61)101-66-56(46(77)42(73)37(24-67)94-66)100-64-57(97-58(83)26(3)14-2)50(81)52(33(10)92-64)98-63-51(82)54(99-62-49(80)45(76)41(72)32(9)90-62)53(34(11)91-63)96-60(85)28(5)30(7)88-59(84)27(4)29(6)68/h26-38,40-57,61-69,71-82H,13-25H2,1-12H3/t26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-,37+,38+,40+,41-,42+,43+,44-,45+,46-,47-,48-,49-,50+,51+,52-,53-,54-,55+,56+,57+,61-,62+,63-,64-,65+,66-/m0/s1 |
| InChIKey | VFFXKJNDVAZVMQ-JLEZGRPVSA-N |
| Literature Reference Author | M.ONO,A.TAKIGAWA,T.MINENO,H.YOSHIMITSU,T.NOHARA,T.IKEDA,E.FU KUDA-TERAMACHI,N.NOD |
| Literature Reference Citation | J.NAT.PROD.,73,1846(2010) |
| Literature Reference DOI | 10.1021/np1004888 |
| Molecular Weight | 1467.610 g/mol |
| Sample ID | 37019 |
| Solvent | C5D5N |