| SpectraBase Compound ID | DUdSh2MDUPK |
|---|---|
| InChI | InChI=1S/C42H62O16.H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1 |
| InChIKey | ILRKKHJEINIICQ-OOFFSTKBSA-N |
| Mol Weight | 839.973 g/mol |
| Molecular Formula | C42H65NO16 |
| Exact Mass | 839.430335 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | FZ87smeqQgc |
|---|---|
| Name | 20beta-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3beta-YL 2-O-beta-D-GLUCOPYRANURONOSYL-alpha-D-GLUCOPYRANOSIDURONIC ACID, MONOAMMONIUM SALT |
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Catalog Number | S64152 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H65NO16 |
| InChI | InChI=1S/C42H62O16.H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;/m0./s1 |
| InChIKey | ILRKKHJEINIICQ-OOFFSTKBSA-N |
| Molecular Weight | 839.973022 |
| Synonyms | OLEAN-12-EN-30-OIC ACID, 3B-HYDROXY-11-OXO-, 2-O-B-D-GLUCOPYRAN- URONOSYL-A-D-GLUCOPYRANURONOSIDE, MONO- AMMONIUM SALT GLUCOPYRANOSIDURONIC ACID, 20B-CARBOXY-11-OXO-30-NOROLEAN-12-EN- 3B-YL 2-O-B-D-GLUCOPYRANURONOSYL-, MONOAMMONIUM SALT, A-D-, GLYCYRRHIZINIC ACID, MONOAMMONIUM SALT OLEAN-12-EN-30-OIC ACID, 3B-HYDROXY-11-OXO-, 2-O-B-D-GLUCOPYRAN- URONOSYL-A-D-GLUCOPYRANURONOSIDE, MONO- AMMONIUM SALT |
| Technique | KBr WAFER |