| SpectraBase Compound ID | C7n1wAIqP3m |
|---|---|
| InChI | InChI=1S/C72H122O35/c1-12-17-23-26-39(27-24-21-19-18-20-22-25-28-44(76)77)95-70-59(51(84)45(78)37(10)93-70)105-72-61(107-71-62(103-66(91)36(9)16-5)60(55(38(11)94-71)100-63(88)33(6)13-2)106-68-53(86)50(83)47(80)41(30-74)97-68)57(48(81)42(31-75)98-72)104-69-54(87)58(102-65(90)35(8)15-4)56(101-64(89)34(7)14-3)43(99-69)32-92-67-52(85)49(82)46(79)40(29-73)96-67/h13,34-43,45-62,67-75,78-87H,12,14-32H2,1-11H3,(H,76,77)/b33-13+/t34-,35-,36-,37+,38-,39-,40-,41+,42-,43-,45+,46-,47+,48-,49+,50-,51-,52-,53+,54-,55-,56-,57+,58-,59+,60+,61-,62+,67-,68-,69+,70-,71-,72+/m0/s1 |
| InChIKey | XAJXHWSZXWCLCH-DCZLJEJGSA-N |
| Mol Weight | 1547.7 g/mol |
| Molecular Formula | C72H122O35 |
| Exact Mass | 1546.776666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmfAgVQonhw |
|---|---|
| Name | #4;CALYSOLIN-XVII;11S-JALAPINOLIC-ACID-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-(2-O-2S-METHYLBUTYRYL-4-O-TIGLOYL)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-GLUCOPYR |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H122O35 |
| InChI | InChI=1S/C72H122O35/c1-12-17-23-26-39(27-24-21-19-18-20-22-25-28-44(76)77)95-70-59(51(84)45(78)37(10)93-70)105-72-61(107-71-62(103-66(91)36(9)16-5)60(55(38(11)94-71)100-63(88)33(6)13-2)106-68-53(86)50(83)47(80)41(30-74)97-68)57(48(81)42(31-75)98-72)104-69-54(87)58(102-65(90)35(8)15-4)56(101-64(89)34(7)14-3)43(99-69)32-92-67-52(85)49(82)46(79)40(29-73)96-67/h13,34-43,45-62,67-75,78-87H,12,14-32H2,1-11H3,(H,76,77)/b33-13+/t34-,35-,36-,37+,38-,39-,40-,41+,42-,43-,45+,46-,47+,48-,49+,50-,51-,52-,53+,54-,55-,56-,57+,58-,59+,60+,61-,62+,67-,68-,69+,70-,71-,72+/m0/s1 |
| InChIKey | XAJXHWSZXWCLCH-DCZLJEJGSA-N |
| Literature Reference Author | M.ONO,A.TAKIGAWA,H.MUTO,K.KABATA,M.OKAWA,J.KINJO,K.YOKOMIZO, H.YOSHIMITSU,T.NOHAR |
| Literature Reference Citation | CHEM.PHARM.BULL.,63,641(2015) |
| Literature Reference DOI | 10.1248/cpb.c15-00307 |
| Molecular Weight | 1547.740 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA10112 |