![PM-4;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/F52cGgLHmzA/structure.png?h=300&w=458 "PM-4;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 | 6879YLeNZ3h |
|---|---|
| InChI | InChI=1S/C71H122O37/c1-15-22-40(24-21-19-17-18-20-23-39(75)25-43(76)92-14)99-70-59(49(82)46(79)42(101-70)27-93-66-52(85)50(83)55(36(11)96-66)102-64(90)30(5)33(8)74)108-71-60(48(81)45(78)41(26-72)100-71)107-69-61(104-62(88)28(3)16-2)53(86)56(37(12)98-69)105-68-54(87)58(106-67-51(84)47(80)44(77)35(10)95-67)57(38(13)97-68)103-65(91)31(6)34(9)94-63(89)29(4)32(7)73/h28-42,44-61,66-75,77-87H,15-27H2,1-14H3/t28-,29+,30-,31+,32+,33-,34+,35+,36+,37-,38+,39-,40-,41+,42+,44+,45+,46+,47-,48-,49-,50+,51-,52-,53+,54+,55+,56-,57+,58+,59+,60+,61+,66-,67+,68-,69-,70+,71-/m0/s1 |
| InChIKey | RCYPWWUNWLUKKJ-JQMAHKSRSA-N |
| Mol Weight | 1567.7 g/mol |
| Molecular Formula | C71H122O37 |
| Exact Mass | 1566.766495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F52cGgLHmzA |
|---|---|
| Name | PM-4;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 | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H122O37 |
| InChI | InChI=1S/C71H122O37/c1-15-22-40(24-21-19-17-18-20-23-39(75)25-43(76)92-14)99-70-59(49(82)46(79)42(101-70)27-93-66-52(85)50(83)55(36(11)96-66)102-64(90)30(5)33(8)74)108-71-60(48(81)45(78)41(26-72)100-71)107-69-61(104-62(88)28(3)16-2)53(86)56(37(12)98-69)105-68-54(87)58(106-67-51(84)47(80)44(77)35(10)95-67)57(38(13)97-68)103-65(91)31(6)34(9)94-63(89)29(4)32(7)73/h28-42,44-61,66-75,77-87H,15-27H2,1-14H3/t28-,29+,30-,31+,32+,33-,34+,35+,36+,37-,38+,39-,40-,41+,42+,44+,45+,46+,47-,48-,49-,50+,51-,52-,53+,54+,55+,56-,57+,58+,59+,60+,61+,66-,67+,68-,69-,70+,71-/m0/s1 |
| InChIKey | RCYPWWUNWLUKKJ-JQMAHKSRSA-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 | 1567.727 g/mol |
| Sample ID | 37023 |
| Solvent | C5D5N |