| SpectraBase Compound ID | C9NDnrqccgX |
|---|---|
| InChI | InChI=1S/C66H108O32/c1-25-36(72)41(77)46(82)54(87-25)95-52-45(81)40(76)31(23-70)91-58(52)97-51-44(80)39(75)30(22-69)90-57(51)93-35-12-13-63(6)33(62(35,4)5)11-14-65(8)34(63)10-9-26-27-19-61(2,3)15-17-66(27,18-16-64(26,65)7)60(86)98-59-53(96-56-48(84)43(79)38(74)29(21-68)89-56)49(85)50(32(24-71)92-59)94-55-47(83)42(78)37(73)28(20-67)88-55/h9,25,27-59,67-85H,10-24H2,1-8H3/t25-,27-,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-,63-,64+,65+,66-/m0/s1 |
| InChIKey | LBBVMXFJPOAYCG-HRKTWDHKSA-N |
| Mol Weight | 1413.6 g/mol |
| Molecular Formula | C66H108O32 |
| Exact Mass | 1412.682371 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Pwu9mwnvIQ |
|---|---|
| Name | #23;BRA-19;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID-28-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H108O32 |
| InChI | InChI=1S/C66H108O32/c1-25-36(72)41(77)46(82)54(87-25)95-52-45(81)40(76)31(23-70)91-58(52)97-51-44(80)39(75)30(22-69)90-57(51)93-35-12-13-63(6)33(62(35,4)5)11-14-65(8)34(63)10-9-26-27-19-61(2,3)15-17-66(27,18-16-64(26,65)7)60(86)98-59-53(96-56-48(84)43(79)38(74)29(21-68)89-56)49(85)50(32(24-71)92-59)94-55-47(83)42(78)37(73)28(20-67)88-55/h9,25,27-59,67-85H,10-24H2,1-8H3/t25-,27-,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-,63-,64+,65+,66-/m0/s1 |
| InChIKey | LBBVMXFJPOAYCG-HRKTWDHKSA-N |
| Literature Reference Author | Y.NAKAHARA,M.OKAWA,J.KINJO,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,1329(2011) |
| Literature Reference DOI | 10.1248/cpb.59.1329 |
| Molecular Weight | 1413.564 g/mol |
| Source File Reference | UWIR3700 |