| SpectraBase Compound ID | 1uELTpWZvCZ |
|---|---|
| InChI | InChI=1S/C83H142O43/c1-14-25-44(114-76-61(101)55(95)50(90)37(7)108-76)29-23-20-24-30-48(88)118-73-72(126-82-70(58(98)53(93)47(33-85)117-82)123-79-64(104)68(66(41(11)112-79)120-74(105)34(4)16-3)122-77-62(102)56(96)51(91)38(8)109-77)67(121-78-63(103)60(100)65(40(10)111-78)119-75(106)35(5)36(6)86)42(12)113-83(73)125-71-59(99)54(94)46(32-84)116-81(71)124-69-57(97)52(92)39(9)110-80(69)115-45(26-15-2)28-22-19-17-18-21-27-43(87)31-49(89)107-13/h16,35-47,50-73,76-87,90-104H,14-15,17-33H2,1-13H3/b34-16+/t35-,36-,37-,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 | QQHNJKGAWIIHLZ-KBSLQREBSA-N |
| Mol Weight | 1828.0 g/mol |
| Molecular Formula | C83H142O43 |
| Exact Mass | 1826.892483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GQrw7ClMeE |
|---|---|
| Name | #3;QM-3;METHYL-(3S,11S)-DIHYDROXY-TETRADECANOATE-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 | C83H142O43 |
| InChI | InChI=1S/C83H142O43/c1-14-25-44(114-76-61(101)55(95)50(90)37(7)108-76)29-23-20-24-30-48(88)118-73-72(126-82-70(58(98)53(93)47(33-85)117-82)123-79-64(104)68(66(41(11)112-79)120-74(105)34(4)16-3)122-77-62(102)56(96)51(91)38(8)109-77)67(121-78-63(103)60(100)65(40(10)111-78)119-75(106)35(5)36(6)86)42(12)113-83(73)125-71-59(99)54(94)46(32-84)116-81(71)124-69-57(97)52(92)39(9)110-80(69)115-45(26-15-2)28-22-19-17-18-21-27-43(87)31-49(89)107-13/h16,35-47,50-73,76-87,90-104H,14-15,17-33H2,1-13H3/b34-16+/t35-,36-,37-,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 | QQHNJKGAWIIHLZ-KBSLQREBSA-N |
| Literature Reference Author | K.AKIYAMA,T.MINENO,M.OKAWA,J.KINJO,H.MIYASHITA,H.YOSHIMITSU, T.NOHARA,M.ONO |
| Literature Reference Citation | CHEM.PHARM.BULL.,61,952(2013) |
| Literature Reference DOI | 10.1248/cpb.c13-00355 |
| Molecular Weight | 1828.015 g/mol |
| Source File Reference | UWIR4132 |