![#5;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL-21-ALPHA-HYDROXY-OLEANOLIC-ACID-28-](/api/spectrum/6KTiSbgq2i8/structure.png?h=300&w=458 "#5;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL-21-ALPHA-HYDROXY-OLEANOLIC-ACID-28-")
| SpectraBase Compound ID | L3xIFPvbiq7 |
|---|---|
| InChI | InChI=1S/C71H116O36/c1-25-38(76)43(81)49(87)59(96-25)104-55-30(21-73)99-58(53(91)47(55)85)94-23-32-41(79)46(84)52(90)63(101-32)107-65(93)71-17-16-69(8)27(28(71)18-66(3,4)36(75)19-71)10-11-35-68(7)14-13-37(67(5,6)34(68)12-15-70(35,69)9)103-64-57(106-60-50(88)44(82)39(77)26(2)97-60)42(80)33(24-95-64)102-61-54(92)48(86)56(31(22-74)100-61)105-62-51(89)45(83)40(78)29(20-72)98-62/h10,25-26,28-64,72-92H,11-24H2,1-9H3/t25-,26+,28+,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+,64+,68+,69-,70-,71-/m1/s1 |
| InChIKey | UXZMRDURFIEHTK-CJYNJRFDSA-N |
| Mol Weight | 1545.7 g/mol |
| Molecular Formula | C71H116O36 |
| Exact Mass | 1544.72463 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KTiSbgq2i8 |
|---|---|
| Name | #5;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-ALPHA-L-ARABINOPYRANOSYL-21-ALPHA-HYDROXY-OLEANOLIC-ACID-28- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H116O36 |
| InChI | InChI=1S/C71H116O36/c1-25-38(76)43(81)49(87)59(96-25)104-55-30(21-73)99-58(53(91)47(55)85)94-23-32-41(79)46(84)52(90)63(101-32)107-65(93)71-17-16-69(8)27(28(71)18-66(3,4)36(75)19-71)10-11-35-68(7)14-13-37(67(5,6)34(68)12-15-70(35,69)9)103-64-57(106-60-50(88)44(82)39(77)26(2)97-60)42(80)33(24-95-64)102-61-54(92)48(86)56(31(22-74)100-61)105-62-51(89)45(83)40(78)29(20-72)98-62/h10,25-26,28-64,72-92H,11-24H2,1-9H3/t25-,26+,28+,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+,64+,68+,69-,70-,71-/m1/s1 |
| InChIKey | UXZMRDURFIEHTK-CJYNJRFDSA-N |
| Literature Reference Author | X.WANG,M.WANG,M.XU,Y.WANG,H.TANG,X.SUN |
| Literature Reference Citation | MOLECULES,19,2121(2014) |
| Literature Reference DOI | 10.3390/molecules19022121 |
| Molecular Weight | 1545.680 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT14588 |