![#1;QM-11;METHYL-(3S,11S)-DIHYDROXYTETRADECANOATE-11-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRAN](/api/spectrum/6QS0Tfdbi9u/structure.png?h=300&w=458 "#1;QM-11;METHYL-(3S,11S)-DIHYDROXYTETRADECANOATE-11-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRAN")
| SpectraBase Compound ID | 4vmwaj9lpJQ |
|---|---|
| InChI | InChI=1S/C72H126O38/c1-11-21-38(100-66-55(90)49(84)44(79)32(5)95-66)25-19-16-20-26-42(77)104-64-63(110-71-61(52(87)47(82)41(29-74)103-71)107-67-56(91)50(85)45(80)33(6)96-67)59(106-68-57(92)54(89)58(35(8)98-68)105-65(93)30(3)31(4)75)36(9)99-72(64)109-62-53(88)48(83)40(28-73)102-70(62)108-60-51(86)46(81)34(7)97-69(60)101-39(22-12-2)24-18-15-13-14-17-23-37(76)27-43(78)94-10/h30-41,44-64,66-76,79-92H,11-29H2,1-10H3/t30-,31+,32+,33-,34+,35+,36-,37-,38+,39+,40+,41-,44+,45-,46-,47-,48+,49-,50+,51-,52+,53-,54+,55+,56-,57+,58+,59-,60+,61-,62+,63+,64+,66-,67+,68-,69-,70-,71+,72-/m0/s1 |
| InChIKey | PUARTTFMUVTTIT-ZHFHLIPASA-N |
| Mol Weight | 1599.8 g/mol |
| Molecular Formula | C72H126O38 |
| Exact Mass | 1598.79271 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QS0Tfdbi9u |
|---|---|
| Name | #1;QM-11;METHYL-(3S,11S)-DIHYDROXYTETRADECANOATE-11-O-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUINOVOPYRAN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H126O38 |
| InChI | InChI=1S/C72H126O38/c1-11-21-38(100-66-55(90)49(84)44(79)32(5)95-66)25-19-16-20-26-42(77)104-64-63(110-71-61(52(87)47(82)41(29-74)103-71)107-67-56(91)50(85)45(80)33(6)96-67)59(106-68-57(92)54(89)58(35(8)98-68)105-65(93)30(3)31(4)75)36(9)99-72(64)109-62-53(88)48(83)40(28-73)102-70(62)108-60-51(86)46(81)34(7)97-69(60)101-39(22-12-2)24-18-15-13-14-17-23-37(76)27-43(78)94-10/h30-41,44-64,66-76,79-92H,11-29H2,1-10H3/t30-,31+,32+,33-,34+,35+,36-,37-,38+,39+,40+,41-,44+,45-,46-,47-,48+,49-,50+,51-,52+,53-,54+,55+,56-,57+,58+,59-,60+,61-,62+,63+,64+,66-,67+,68-,69-,70-,71+,72-/m0/s1 |
| InChIKey | PUARTTFMUVTTIT-ZHFHLIPASA-N |
| Literature Reference Author | M.ONO,K.AKIYAMA,K.YAMAMOTO,T.MINENO,M.OKAWA,J.KINJO,H.MIYASH ITA,H.YOSHIMITSU |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,830(2014) |
| Literature Reference DOI | 10.1248/cpb.c14-00277 |
| Molecular Weight | 1599.770 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT13926 |