| SpectraBase Compound ID | IqkHJa2JMDz |
|---|---|
| InChI | InChI=1S/C70H114O34/c1-26-38(74)44(80)48(84)57(94-26)92-24-33-41(77)45(81)49(85)60(99-33)103-55-43(79)31(21-71)96-62(52(55)88)101-53-32(22-72)97-59(50(86)46(53)82)98-34-25-93-58(47(83)42(34)78)102-54-39(75)27(2)95-61(51(54)87)104-56-40(76)30(73)23-91-63(56)100-37-13-14-67(7)35(66(37,5)6)12-15-69(9)36(67)11-10-28-29-20-65(3,4)16-18-70(29,64(89)90)19-17-68(28,69)8/h10,26-27,29-63,71-88H,11-25H2,1-9H3,(H,89,90)/t26-,27+,29+,30+,31+,32-,33+,34-,35+,36-,37+,38-,39+,40+,41+,42-,43+,44+,45-,46-,47-,48+,49+,50-,51-,52+,53-,54-,55-,56-,57+,58+,59+,60-,61+,62-,63+,67?,68?,69?,70+/m1/s1 |
| InChIKey | XRUBLGIYJKKBDN-ADQVLHPESA-N |
| Mol Weight | 1499.6 g/mol |
| Molecular Formula | C70H114O34 |
| Exact Mass | 1498.719151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1aKBShBXXvH |
|---|---|
| Name | OLEANOLIC-ACID-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-RI |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H114O34 |
| InChI | InChI=1S/C70H114O34/c1-26-38(74)44(80)48(84)57(94-26)92-24-33-41(77)45(81)49(85)60(99-33)103-55-43(79)31(21-71)96-62(52(55)88)101-53-32(22-72)97-59(50(86)46(53)82)98-34-25-93-58(47(83)42(34)78)102-54-39(75)27(2)95-61(51(54)87)104-56-40(76)30(73)23-91-63(56)100-37-13-14-67(7)35(66(37,5)6)12-15-69(9)36(67)11-10-28-29-20-65(3,4)16-18-70(29,64(89)90)19-17-68(28,69)8/h10,26-27,29-63,71-88H,11-25H2,1-9H3,(H,89,90)/t26-,27+,29+,30+,31+,32-,33+,34-,35+,36-,37+,38-,39+,40+,41+,42-,43+,44+,45-,46-,47-,48+,49+,50-,51-,52+,53-,54-,55-,56-,57+,58+,59+,60-,61+,62-,63+,67?,68?,69?,70+/m1/s1 |
| InChIKey | XRUBLGIYJKKBDN-ADQVLHPESA-N |
| Literature Reference Author | Y.KAWATA,H.KIZU,T.TOMIMORI |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1891(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1891 |
| Molecular Weight | 1499.655 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20915 |