| SpectraBase Compound ID | GbkejoUZfpQ |
|---|---|
| InChI | InChI=1S/C60H94O29/c1-54(2)14-16-60(17-15-57(5)25(26(60)18-54)8-9-31-56(4)12-11-33(63)59(7,52(77)78)32(56)10-13-58(31,57)6)53(79)89-50-45(76)46(87-48-43(74)40(71)36(67)27(21-61)83-48)39(70)30(85-50)24-82-51-47(88-49-44(75)41(72)37(68)28(22-62)84-49)42(73)38(69)29(86-51)23-81-35(66)20-55(3,80)19-34(64)65/h8,26-33,36-51,61-63,67-76,80H,9-24H2,1-7H3,(H,64,65)(H,77,78)/t26?,27-,28+,29+,30-,31?,32?,33-,36-,37+,38+,39-,40+,41-,42-,43-,44+,45+,46-,47+,48+,49-,50-,51+,55?,56+,57+,58+,59-,60-/m0/s1 |
| InChIKey | NMZXWJLQTSMVIG-PWEYXVSLSA-N |
| Mol Weight | 1279.4 g/mol |
| Molecular Formula | C60H94O29 |
| Exact Mass | 1278.588077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | WkrWyaPeCa |
|---|---|
| Name | VACCAROID-B;3-BETA-HYDROXYOLEAN-12-EN-23,28-DIOIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->6)-[6-O-(3-HYDROXY-3-METH |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H94O29 |
| InChI | InChI=1S/C60H94O29/c1-54(2)14-16-60(17-15-57(5)25(26(60)18-54)8-9-31-56(4)12-11-33(63)59(7,52(77)78)32(56)10-13-58(31,57)6)53(79)89-50-45(76)46(87-48-43(74)40(71)36(67)27(21-61)83-48)39(70)30(85-50)24-82-51-47(88-49-44(75)41(72)37(68)28(22-62)84-49)42(73)38(69)29(86-51)23-81-35(66)20-55(3,80)19-34(64)65/h8,26-33,36-51,61-63,67-76,80H,9-24H2,1-7H3,(H,64,65)(H,77,78)/t26?,27-,28+,29+,30-,31?,32?,33-,36-,37+,38+,39-,40+,41-,42-,43-,44+,45+,46-,47+,48+,49-,50-,51+,55?,56+,57+,58+,59-,60-/m0/s1 |
| InChIKey | NMZXWJLQTSMVIG-PWEYXVSLSA-N |
| Literature Reference Author | Y.S.YUN,K.SHIMIZU,H.MORITA,K.TAKEYA,H.ITOKAWA,A.SHIROTA |
| Literature Reference Citation | PHYTOCHEM.,47,143(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00496-2 |
| Molecular Weight | 1279.389 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6 |