| SpectraBase Compound ID | A4gwLxJD412 |
|---|---|
| InChI | InChI=1S/C48H76O17/c1-21-31(53)34(56)37(59)40(60-21)64-39-36(58)33(55)25(19-49)62-42(39)65-38-35(57)32(54)22(2)61-41(38)63-30-13-14-45(7)26(44(30,5)6)12-15-46(8)27(45)11-10-23-24-16-43(3,4)28(51)18-48(24,20-50)29(52)17-47(23,46)9/h10-11,21-22,25-27,29-42,49-50,52-59H,12-20H2,1-9H3/t21-,22+,25+,26-,27+,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,45-,46+,47+,48+/m0/s1 |
| InChIKey | KZAWAPHMGOYPBR-LZKDANGNSA-N |
| Mol Weight | 925.1 g/mol |
| Molecular Formula | C48H76O17 |
| Exact Mass | 924.508251 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7upzxvFrxUy |
|---|---|
| Name | #21;BRA-17;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-3-BETA,16-ALPHA,28-TRIHYDROXY-OLEAN-11,13(18)-DIENE-21-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O17 |
| InChI | InChI=1S/C48H76O17/c1-21-31(53)34(56)37(59)40(60-21)64-39-36(58)33(55)25(19-49)62-42(39)65-38-35(57)32(54)22(2)61-41(38)63-30-13-14-45(7)26(44(30,5)6)12-15-46(8)27(45)11-10-23-24-16-43(3,4)28(51)18-48(24,20-50)29(52)17-47(23,46)9/h10-11,21-22,25-27,29-42,49-50,52-59H,12-20H2,1-9H3/t21-,22+,25+,26-,27+,29+,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,45-,46+,47+,48+/m0/s1 |
| InChIKey | KZAWAPHMGOYPBR-LZKDANGNSA-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 | 925.121 g/mol |
| Source File Reference | UWIR3698 |