![#5;QM-10;METHYL-(3S,11S)-DIHYDROXYTETRADECANOATE-11-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-BETA-D-QUINOVOPYRANOSYL-(1->4)]-O-[2-O-(](/api/spectrum/2P2q1s18Ekx/structure.png?h=300&w=458 "#5;QM-10;METHYL-(3S,11S)-DIHYDROXYTETRADECANOATE-11-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-BETA-D-QUINOVOPYRANOSYL-(1->4)]-O-[2-O-(")
| SpectraBase Compound ID | FmRpoFJrKej |
|---|---|
| InChI | InChI=1S/C67H118O36/c1-9-19-34(94-61-52(85)46(79)40(73)28(3)89-61)23-17-14-18-24-38(71)98-60-59(103-66-57(50(83)44(77)37(27-69)97-66)100-63-54(87)48(81)42(75)30(5)91-63)55(99-62-53(86)47(80)41(74)29(4)90-62)32(7)93-67(60)102-58-51(84)45(78)36(26-68)96-65(58)101-56-49(82)43(76)31(6)92-64(56)95-35(20-10-2)22-16-13-11-12-15-21-33(70)25-39(72)88-8/h28-37,40-70,73-87H,9-27H2,1-8H3/t28-,29-,30+,31-,32+,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-,60-,61+,62+,63-,64+,65+,66-,67+/m1/s1 |
| InChIKey | FRXXBTNUZCYBJZ-AKGHLGHJSA-N |
| Mol Weight | 1499.6 g/mol |
| Molecular Formula | C67H118O36 |
| Exact Mass | 1498.74028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2P2q1s18Ekx |
|---|---|
| Name | #5;QM-10;METHYL-(3S,11S)-DIHYDROXYTETRADECANOATE-11-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-BETA-D-QUINOVOPYRANOSYL-(1->4)]-O-[2-O-( |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C67H118O36 |
| InChI | InChI=1S/C67H118O36/c1-9-19-34(94-61-52(85)46(79)40(73)28(3)89-61)23-17-14-18-24-38(71)98-60-59(103-66-57(50(83)44(77)37(27-69)97-66)100-63-54(87)48(81)42(75)30(5)91-63)55(99-62-53(86)47(80)41(74)29(4)90-62)32(7)93-67(60)102-58-51(84)45(78)36(26-68)96-65(58)101-56-49(82)43(76)31(6)92-64(56)95-35(20-10-2)22-16-13-11-12-15-21-33(70)25-39(72)88-8/h28-37,40-70,73-87H,9-27H2,1-8H3/t28-,29-,30+,31-,32+,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-,60-,61+,62+,63-,64+,65+,66-,67+/m1/s1 |
| InChIKey | FRXXBTNUZCYBJZ-AKGHLGHJSA-N |
| Literature Reference Author | K.AKIYAMA,K.YAMMAMOTO,T.MINENO,M.OKAWA,J.KINJO,H.YOSHIMITSU, T.NHARA,M.ONO |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,125(2014) |
| Literature Reference DOI | 10.1248/cpb.c13-00739 |
| Molecular Weight | 1499.652 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT14017 |