| SpectraBase Compound ID | 197QNJJbVW1 |
|---|---|
| InChI | InChI=1S/C60H104O31/c1-12-19-34(21-18-16-14-15-17-20-33(63)22-37(64)78-11)84-59-51(43(70)40(67)36(86-59)24-79-56-46(73)44(71)48(31(9)82-56)87-55(77)27(5)29(7)80-54(76)26(4)28(6)62)91-60-52(42(69)39(66)35(23-61)85-60)90-58-47(74)50(88-53(75)25(3)13-2)49(32(10)83-58)89-57-45(72)41(68)38(65)30(8)81-57/h25-36,38-52,56-63,65-74H,12-24H2,1-11H3/t25-,26+,27+,28+,29+,30+,31+,32-,33?,34?,35+,36+,38+,39+,40+,41-,42-,43-,44+,45+,46-,47+,48+,49-,50-,51+,52+,56-,57-,58-,59+,60-/m0/s1 |
| InChIKey | GDMDHFFUORQCKG-VCOOCZTISA-N |
| Mol Weight | 1321.5 g/mol |
| Molecular Formula | C60H104O31 |
| Exact Mass | 1320.656157 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwbNmreQPoz |
|---|---|
| Name | PM-7;METHYL_3-S,11-S-DIHYDROXYTETRADECANOATE_11-O-BETA-D-QUINOVOPYRANOSYL-(1->4)-O-(3-O-2-S-METHYLBUTYRYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-BETA |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H104O31 |
| InChI | InChI=1S/C60H104O31/c1-12-19-34(21-18-16-14-15-17-20-33(63)22-37(64)78-11)84-59-51(43(70)40(67)36(86-59)24-79-56-46(73)44(71)48(31(9)82-56)87-55(77)27(5)29(7)80-54(76)26(4)28(6)62)91-60-52(42(69)39(66)35(23-61)85-60)90-58-47(74)50(88-53(75)25(3)13-2)49(32(10)83-58)89-57-45(72)41(68)38(65)30(8)81-57/h25-36,38-52,56-63,65-74H,12-24H2,1-11H3/t25-,26+,27+,28+,29+,30+,31+,32-,33?,34?,35+,36+,38+,39+,40+,41-,42-,43-,44+,45+,46-,47+,48+,49-,50-,51+,52+,56-,57-,58-,59+,60-/m0/s1 |
| InChIKey | GDMDHFFUORQCKG-VCOOCZTISA-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 | 1321.467 g/mol |
| Sample ID | 37026 |
| Solvent | C5D5N |