| SpectraBase Compound ID | HhidEgCMr6L |
|---|---|
| InChI | InChI=1S/C83H140O42/c1-14-26-44(113-76-61(100)55(94)50(89)37(7)107-76)30-24-21-25-31-48(87)117-73-72(125-82-70(58(97)53(92)47(34-85)116-82)122-79-64(103)68(66(41(11)111-79)119-75(105)36(6)17-4)121-77-62(101)56(95)51(90)38(8)108-77)67(120-78-63(102)60(99)65(40(10)110-78)118-74(104)35(5)16-3)42(12)112-83(73)124-71-59(98)54(93)46(33-84)115-81(71)123-69-57(96)52(91)39(9)109-80(69)114-45(27-15-2)29-23-20-18-19-22-28-43(86)32-49(88)106-13/h16-17,37-47,50-73,76-86,89-103H,14-15,18-34H2,1-13H3/b35-16+,36-17+/t37-,38-,39-,40-,41+,42+,43+,44-,45-,46-,47+,50-,51+,52+,53+,54-,55+,56+,57+,58-,59+,60-,61-,62-,63-,64+,65+,66+,67+,68+,69-,70+,71-,72-,73-,76+,77+,78+,79-,80+,81+,82-,83+/m1/s1 |
| InChIKey | NXENXLULOUVEOQ-ZKFNHQNUSA-N |
| Mol Weight | 1810.0 g/mol |
| Molecular Formula | C83H140O42 |
| Exact Mass | 1808.881919 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSdeZL87VkG |
|---|---|
| Name | #4;QM-9;METHYL-(3S,11S)-DIHYDROXYTETRADECANOATE-11-O-BETA-D-FUCOPYRANOSYL-(1->3)-O-(4-O-TIGLOYL)-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C83H140O42 |
| InChI | InChI=1S/C83H140O42/c1-14-26-44(113-76-61(100)55(94)50(89)37(7)107-76)30-24-21-25-31-48(87)117-73-72(125-82-70(58(97)53(92)47(34-85)116-82)122-79-64(103)68(66(41(11)111-79)119-75(105)36(6)17-4)121-77-62(101)56(95)51(90)38(8)108-77)67(120-78-63(102)60(99)65(40(10)110-78)118-74(104)35(5)16-3)42(12)112-83(73)124-71-59(98)54(93)46(33-84)115-81(71)123-69-57(96)52(91)39(9)109-80(69)114-45(27-15-2)29-23-20-18-19-22-28-43(86)32-49(88)106-13/h16-17,37-47,50-73,76-86,89-103H,14-15,18-34H2,1-13H3/b35-16+,36-17+/t37-,38-,39-,40-,41+,42+,43+,44-,45-,46-,47+,50-,51+,52+,53+,54-,55+,56+,57+,58-,59+,60-,61-,62-,63-,64+,65+,66+,67+,68+,69-,70+,71-,72-,73-,76+,77+,78+,79-,80+,81+,82-,83+/m1/s1 |
| InChIKey | NXENXLULOUVEOQ-ZKFNHQNUSA-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 | 1809.999 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT14016 |