| SpectraBase Compound ID | 7ogXMTMxFJx |
|---|---|
| InChI | InChI=1S/C78H134O41/c1-12-23-40(108-71-58(96)52(90)46(84)33(5)102-71)27-21-18-22-28-44(82)112-69-68(119-77-66(56(94)50(88)43(31-80)111-77)116-74-61(99)64(62(37(9)106-74)113-70(100)32(4)14-3)115-73-60(98)54(92)48(86)35(7)104-73)63(114-72-59(97)53(91)47(85)34(6)103-72)38(10)107-78(69)118-67-57(95)51(89)42(30-79)110-76(67)117-65-55(93)49(87)36(8)105-75(65)109-41(24-13-2)26-20-17-15-16-19-25-39(81)29-45(83)101-11/h14,33-43,46-69,71-81,84-99H,12-13,15-31H2,1-11H3/b32-14+/t33-,34-,35+,36-,37+,38+,39+,40+,41+,42-,43+,46-,47-,48+,49+,50+,51-,52+,53+,54-,55+,56-,57+,58-,59-,60-,61+,62+,63+,64+,65-,66+,67-,68-,69-,71+,72+,73+,74-,75+,76+,77-,78+/m1/s1 |
| InChIKey | DUKNTQGPUYYDCE-STXAEGNRSA-N |
| Mol Weight | 1727.9 g/mol |
| Molecular Formula | C78H134O41 |
| Exact Mass | 1726.840054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3D6N7hTKqyM |
|---|---|
| Name | #8;METHYL-(3S,11S)-DIHYDROXY-TETRADECANOATE-11-O-ALPHA-L-RHAMNOPYRANOSYL-(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 | C78H134O41 |
| InChI | InChI=1S/C78H134O41/c1-12-23-40(108-71-58(96)52(90)46(84)33(5)102-71)27-21-18-22-28-44(82)112-69-68(119-77-66(56(94)50(88)43(31-80)111-77)116-74-61(99)64(62(37(9)106-74)113-70(100)32(4)14-3)115-73-60(98)54(92)48(86)35(7)104-73)63(114-72-59(97)53(91)47(85)34(6)103-72)38(10)107-78(69)118-67-57(95)51(89)42(30-79)110-76(67)117-65-55(93)49(87)36(8)105-75(65)109-41(24-13-2)26-20-17-15-16-19-25-39(81)29-45(83)101-11/h14,33-43,46-69,71-81,84-99H,12-13,15-31H2,1-11H3/b32-14+/t33-,34-,35+,36-,37+,38+,39+,40+,41+,42-,43+,46-,47-,48+,49+,50+,51-,52+,53+,54-,55+,56-,57+,58-,59-,60-,61+,62+,63+,64+,65-,66+,67-,68-,69-,71+,72+,73+,74-,75+,76+,77-,78+/m1/s1 |
| InChIKey | DUKNTQGPUYYDCE-STXAEGNRSA-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 | 1727.897 g/mol |
| Source File Reference | UWIR4131 |